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Tautomers and conjugate base of the nitrenium ion derived from N-acetylbenzidine Andrew P. Dicks Abid R. Ahmad Raechelle D  Sa and Robert A. McClelland pg 1; DOI: 10.1039/a808322c |
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A computational study of the reactivity of diethenylnaphthalenes towards anionic polymerization Ahu Ak  n Safiye Sa Erdem Turgut Nugay Viktorya Aviyente and Haluk Reat pg 5; DOI: 10.1039/a804188a |
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Chiral recognition of an anionic tetrahelicene by native cyclodextrins. Enantioselectivity dominated by location of a hydrophilic group of the guest in a cyclodextrin cavity Koji Kano Hisanobu Kamo Shigeru Negi Takashi Kitae Ryoko Takaoka Masahiko Yamaguchi Hitoshi Okubo and Masahiro Hirama pg 15; DOI: 10.1039/a806054a |
A thermodynamic, electrochemical and molecular dynamics study on NAD and NADP recognition by 1,4,7,10,13,16,19-heptaazacyclohenicosane ([21]aneN7) Antonio Doménech Enrique García-España José A. Ramírez Bernardo Celda Ma Carmen Martínez Daniel Monleón Roberto Tejero Andrea Bencini and Antonio Bianchi pg 23; DOI: 10.1039/a806004e |
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Theoretical density functional and ab initio computational study of vertical ionization potentials, dipole moments and 13C and 14N-NMR shifts of the 2-mercaptopyridine system. A model for thiated nucleobases Victor Martinez-Merino and Maria J. Gil pg 33; DOI: 10.1039/a807577h |
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Reactions of carbonyl compounds in basic solutions. Part 33.1 Effect of 2-trichloro- and tribromoacetyl substituents on the alkaline hydrolysis of methyl benzoate, as well as the hydrolysis of the corresponding benzoate anions and ionisation/ring–chain tautomerism of the corresponding acids Keith Bowden and Sivani Raja pg 39; DOI: 10.1039/a807438k |
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Photochemical generation of the N-isopropylbenzonitrilium ion and unusually slow trapping by azide ion Patrick H. Ruane Robert A. McClelland A. Frank Hegarty and Steen Steenken pg 43; DOI: 10.1039/a807346e |
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Sandmeyer reactions. Part 4.1 An investigation into the cyclisation modes of Pschorr phenanthrene synthesis Peter Hanson P. Wilfried Lövenich Simon C. Rowell Paul H. Walton and Allan W. Timms pg 49; DOI: 10.1039/a807292b |
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Brominated isoindolines: precursors to functionalised nitroxides Aaron S. Micallef Raymond C. Bott Steven E. Bottle Graham Smith Jonathon M. White Kenji Matsuda and Hiizu Iwamura pg 65; DOI: 10.1039/a806884d |
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Domino reaction between 2-acylfurans and diethyl azodicarboxylate: a combined experimental, theoretical, X-ray and dynamic NMR study M. Eugenia González-Rosende José Sepúlveda-Arques Elena Zaballos-Garcia Luis R. Domingo Ramón J. Zaragozá W. Brian Jennings Simon E. Lawrence and Donal O Leary pg 73; DOI: 10.1039/a806628k |
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Synthetic and tautomeric studies of 5-amino-2,3-dihydro-1,2,4-oxadiazol-3-one Do Young Ra Nam Sook Cho Sung Kwon Kang Eun Suk Choi and Il Hwan Suh pg 81; DOI: 10.1039/a806491a |
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Intercalation of cations in crystalline anionic surfactants Yutaka Abe Kazuaki Harata Masami Fujiwara and Kazuo Ohbu pg 85; DOI: 10.1039/a806314a |
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Conformational analysis, Part 31.1 A theoretical and lanthanide induced shift (LIS) investigation of the conformations of some epoxides Raymond J. Abraham Irene Castellazzi Fernando Sancassan and Timothy A. D. Smith pg 99; DOI: 10.1039/a806284f |
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Possible interaction mechanism for quaternary ammonium (QA) ions binding to potassium channels: density functional theory and MP2 studies on the interaction between phenol and ammonium cation Xiao Jian Tan Hua Liang Jiang Wei Liang Zhu Kai Xian Chen and Ru Yun Ji pg 107; DOI: 10.1039/a806009f |
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The nature of the micellar Stern region as studied by reaction kinetics Niklaas J. Buurma A. Martin Herranz and Jan B. F. N. Engberts pg 113; DOI: 10.1039/a805374j |
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New chemical method for selective generation of C70n– (n=1, 2, 3) anions and formation and properties of an aqueous colloidal solution of C70 Xianwen Wei Zhiyong Suo Keyu Zhou Zheng Xu Weijun Zhang Pei Wang Haiyan Shen and Xi Li pg 121; DOI: 10.1039/a804093a |
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Photophysical properties of various regioisomers of [60]fullerene-o-quinodimethane bisadducts Yosuke Nakamura Masumi Taki Seiji Tobita Haruo Shizuka Hajime Yokoi Katsuya Ishiguro Yasuhiko Sawaki and Jun Nishimura pg 127; DOI: 10.1039/a803891k |
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Computational study of organized cycloaddition reactions with pyrrole moiety as a diene Branko S. Jursic pg 131; DOI: 10.1039/a803740j |
Issue 2
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17O NMR of benzamide derivatives: ground state torsion angle does not affect transmission of substituent effect by through-conjugation Michael De Rosa pg 139; DOI: 10.1039/a809474h |
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Fluorescence ratio sensing of alkali metal ions based on control of the intramolecular exciplex formation Seiichi Nishizawa Masatoshi Watanabe Tatsuya Uchida and Norio Teramae pg 141; DOI: 10.1039/a809352k |
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UV-vis and IR spectroscopic characterization of diphenyl disulfide radical cation in acid zeolites and its rearrangement to thianthrenium radical cation Vicente Martí Lorenzo Fernández Vicente Fornés Hermenegildo García and Heinz D. Roth pg 145; DOI: 10.1039/a806522e |
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Investigation of 5-HT4 agonist activities using molecular field analysis Magdy N. Iskander Ian M. Coupar and David A. Winkler pg 153; DOI: 10.1039/a806347h |
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Base induced rearrangement reactions of N-phosphinoyl-O-sulfonylhydroxylamines. Observation of a phosphonamidic–sulfonic anhydride intermediate by NMR spectroscopy1 Martin J. P. Harger and Ramesh Sreedharan-Menon pg 159; DOI: 10.1039/a809267b |
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The OH radical-induced chain reactions of methanol with hydrogen peroxide and with peroxodisulfate Piotr Ulanski and Clemens von Sonntag pg 165; DOI: 10.1039/a808543i |
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Ureas and amides as dipolar aprotic solvents in highly basic media. The dependence of kinetic basicity on solvent composition Alpo Kankaanperä Pirketta Scharlin Ilona Kuusisto Riitta Kallio and Emma Bernoulli pg 169; DOI: 10.1039/a808435a |
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Conditions for maxima and minima as inversion points in the temperature dependence of selection processes Detlef Heller Helmut Buschmann and Helfried Neumann pg 175; DOI: 10.1039/a808392d |
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Chiral organometallic reagents. Part XXIII.1 On the stereochemistry of the carbolithiation reaction of vinyl sulfides Reinhard W. Hoffmann Ralf Koberstein and Klaus Harms pg 183; DOI: 10.1039/a808116f |
Effects of diamine bridge length and substituents on the spectral properties of N,N -bis( -substituted salicylidene)diamines in solutionToshio Kawasaki Toshihide Kamata Hirobumi Ushijima Mitsuhiro Kanakubo Shigeo Murata Fujio Mizukami Yuki Fujii and Yoshiharu Usui pg 193; DOI: 10.1039/a807902a |
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Cation complexation, isomerization, and photoresponsive ionic conduction of a crown ether derivative carrying two spirobenzopyran units Keiichi Kimura Takashi Teranishi Masaaki Yokoyama Setsuko Yajima Saori Miyake Hidefumi Sakamoto and Mutsuo Tanaka pg 199; DOI: 10.1039/a807841f |
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Reaction of sulfate and phosphate radicals with ,,-trifluorotoluene Janina A. Rosso Patricia E. Allegretti Daniel O. Mártire and Mónica C. Gonzalez pg 205; DOI: 10.1039/a807751g |
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An experimental (flash vacuum pyrolysis) and theoretical study of the tautomerism of pyrazolinones at high temperatures Gloria I. Yranzo Elizabeth L. Moyano Isabel Rozas Christophe Dardonville and José Elguero pg 211; DOI: 10.1039/a807669c |
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Stereochemical model of [2+2]cycloaddition of chlorosulfonyl isocyanate to chiral vinyl ethers Bart  omiej Furman Piotr Krajewski Zbigniew Kau a René Thürmer Wolfgang Voelter Lech Kozerski Michael P. Williamson and Marek Chmielewski pg 217; DOI: 10.1039/a807624c |
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Photochemical generation and lifetimes in water of p-aryloxy- and p-alkoxyphenylnitrenium ions Pratima Ramlall and Robert A. McClelland pg 225; DOI: 10.1039/a807567k |
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Conformational studies of two new brassinosteroid analogues with a 22,23-trans diol function Susanne Drosihn Andrea Porzel Brunhilde Voigt Wolfgang Brandt Christoph Wagner Kurt Merzweiler and Günter Adam pg 233; DOI: 10.1039/a807440b |
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Formation of secondary ozonides in the gas phase low-temperature ozonation of primary and secondary alkenes Radek Fajgar Josef Vítek Yehuda Haas and Josef Pola pg 239; DOI: 10.1039/a807208f |
Multichromophoric cyclodextrins as fluorescent sensors. Interaction of heptachromophoric  -cyclodextrins with surfactantsPatricia Choppinet Ludovic Jullien and Bernard Valeur pg 249; DOI: 10.1039/a807072e |
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[n]Peristylanes and [n]oxa[n]peristylanes (n=3–6): A theoretical study Pankaz K. Sharma Eluvathingal D. Jemmis Ramdas Vidya and Goverdhan Mehta pg 257; DOI: 10.1039/a806955g |
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EPR and voltammetric evidence for the reversible dimerization of anion radicals of aromatic meta-substituted diesters and dithioic S,S-diesters Richard D. Webster pg 263; DOI: 10.1039/a806854b |
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A new calix[4]arene-bis(crown ether) derivative displaying an improved caesium over sodium selectivity: molecular dynamics and experimental investigation of alkali-metal ion complexation Véronique Lamare Jean-François Dozol Saowarux Fuangswasdi Françoise Arnaud-Neu Pierre Thuéry Martine Nierlich Zouhair Asfari and Jacques Vicens pg 271; DOI: 10.1039/a806714g |
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Quinone recognition by amide hydrogen bonding in porphyrin systems Kiyoshi Tanaka Yasuhiro Yamamoto Isao Machida and Satoru Iwata pg 285; DOI: 10.1039/a806621c |
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Synthesis, characterisation and metal ion binding properties of crown ethers incorporating 4,5-dioxyxanthones Brian G. Cox Tracey V. Hurwood L. Prodi M. Montalti F. Bolletta and C. Ian F. Watt pg 289; DOI: 10.1039/a806487c |
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14N-Spin trapping of free radicals in the presence of 15N-spin labeled Neisseria gonorrhoeae Gerald M. Rosen Sovitj Pou Myron S. Cohen Daniel J. Hassett Bradley E. Britigan Michael J. Barber Guan-Liang Cao Kennyatta Cosby Bradley E. Sturgeon and Howard J. Halpern pg 297; DOI: 10.1039/a806100i |
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Quenching studies of pyrenoyl glutamic acid derivatives Sanjukta Aich and Heinz-Bernhard Kraatz pg 301; DOI: 10.1039/a805907a |
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The radical ions from bis(2,4,6-tri-tert-butylphenyl)-1,3-diphosphaallene. A multi-disciplinary approach and a reassessment Angelo Alberti Massimo Benaglia Mila D Angelantonio Salvatore S. Emmi Maurizio Guerra Andrew Hudson Dante Macciantelli Francesco Paolucci and Sergio Roffia pg 309; DOI: 10.1039/a805851b |
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Photophysical properties of 5,10,15,20-tetrakis(m-hydroxyphenyl)porphyrin (m-THPP), 5,10,15,20-tetrakis(m-hydroxyphenyl)chlorin (m-THPC) and 5,10,15,20-tetrakis(m-hydroxyphenyl)bacteriochlorin (m-THPBC): a comparative study Raymond Bonnett Paul Charlesworth Birgul D. Djelal Sarah Foley D. J. McGarvey and T. George Truscott pg 325; DOI: 10.1039/a805328f |
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Solvent effects on diketopiperazine formation from N-terminal peptide residues Sante Capasso and Lelio Mazzarella pg 329; DOI: 10.1039/a805323e |
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The gas phase 1,2-Wittig rearrangement is an anion reaction. A joint experimental and theoretical study John C. Sheldon Mark S. Taylor John H. Bowie Suresh Dua C. S. Brian Chia and Peter C. H. Eichinger pg 333; DOI: 10.1039/a805319g |
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Spectroscopic and photophysical study of an anthryl probe: DNA binding and chiral recognition Abdel R. Al Rabaa Francis Tfibel Fabienne Mérola Pascal Pernot and Marie-Pierre Fontaine-Aupart pg 341; DOI: 10.1039/a804824j |
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Molecular recognition by natural macrocycles. Part II. Esterolytic activity and chiral discrimination of amino acid derivatives by the zwitterionic form of (+)-tubocurarine Carolina Godoy-Alcántar Marina I. Nelen Alexey V. Eliseev and Anatoly K. Yatsimirsky pg 353; DOI: 10.1039/a804353a |
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Zn2+ inclusion complexes of endodentate tripodands as carbonic anhydrase-inspired artificial esterases. Part 2.1 Micellar systems Rick Jairam Pierre G. Potvin and Steven Balsky pg 363; DOI: 10.1039/a804352c |
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Reliability of hybrid density theory—semiempirical approach for evaluation of bond dissociation energies Branko S. Jursic pg 369; DOI: 10.1039/a803744b |
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Governing organic reactions through secondary orbital interactions. Semiempirical and density functional theory study of catalyzed cycloaddition reactions between pyrrole and ether dienophiles Branko S. Jursic pg 373; DOI: 10.1039/a803738h |
Induced circular dichroism spectra of  -,  -, and  -cyclodextrin complexes with  -conjugate compounds. Part 2. Chiral dimer formation and polarization directions of the –* transitions in some hydroxyazo guests having a naphthalene nucleusNoboru Yoshida Hiroyuki Yamaguchi Tomoaki Iwao and Miwako Higashi pg 379; DOI: 10.1039/a803729i |
Issue 3
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The first electrochemical study of epidithiopiperazine-2,5-diones, a special class of ,-disulfide bridged cyclic dipeptides Christina L. L. Chai Graham A. Heath Paul B. Huleatt and Gavin A. O Shea pg 389; DOI: 10.1039/a809266d |
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Synthesis and metal ion-sensing properties of fluorescent PET chemosensors based on the 2-phenylimidazo[5,4-a]anthraquinone chromophore Katsuhira Yoshida Takayoshi Mori Shigeru Watanabe Hideki Kawai and Toshihiko Nagamura pg 393; DOI: 10.1039/a900424f |
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A theoretical study of electronic factors affecting hydroxylation by model ferryl complexes of cytochrome P-450 and horseradish peroxidase Michael Filatov Nathan Harris and Sason Shaik pg 399; DOI: 10.1039/a809385g |
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Determination of absolute configuration of helicenes and related biaryls from calculation of helical twisting powers by the surface chirality model Alberta Ferrarini Giovanni Gottarelli Pier Luigi Nordio and Gian Piero Spada pg 411; DOI: 10.1039/a809593k |
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Analyzing the origins of receptor–ligand adhesion forces measured by the scanning force microscope Adam Moore Philip M. Williams Martyn C. Davies David E. Jackson Clive J. Roberts and Saul J. B. Tendler pg 419; DOI: 10.1039/a803061h |
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Solvent effects on redox properties of radical ions1 Mats Jonsson Abdelaziz Houmam Gloria Jocys and Danial D. M. Wayner pg 425; DOI: 10.1039/a809499c |
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Acyloxymethyl as a drug protecting group. Part 5.1 Kinetics and mechanism of the hydrolysis of tertiary N-acyloxymethylsulfonamides Francisca Lopes Rui Moreira and Jim Iley pg 431; DOI: 10.1039/a809047e |
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Proton chemical shifts in NMR. Part 13.1 Proton chemical shifts in ketones and the magnetic anisotropy and electric field effect of the carbonyl group Raymond J. Abraham and Nick J. Ainger pg 441; DOI: 10.1039/a808908f |
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A fluorescent glucose sensor binding covalently to all five hydroxy groups of -D-glucofuranose. A reinvestigation Mia Bielecki Hanne Eggert and Jens Chr. Norrild pg 449; DOI: 10.1039/a808896i |
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Gas phase and condensed phase SNi reactions. The competitive six and seven centre cyclisations of the 5,6-epoxyhexoxide anion. A joint experimental and ab initio study. A comparison with SNi reactions of homologous epoxyalkoxide anions John M. Hevko Suresh Dua John H. Bowie and Mark S. Taylor pg 457; DOI: 10.1039/a808853e |
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The conformational analysis of phosphine ligands in organometallic complexes. Part 2. Triphenylphosphine coordinated to achiral and prochiral octahedral metal centres1 James F. Costello Stephen G. Davies and David McNally pg 465; DOI: 10.1039/a808794f |
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Reactions of semiquinones in aqueous solution. A comparison of the one electron reduction of kalafungin and analogues with other semiquinones using pulse radiolysis Robert F. Anderson Margaret A. Brimble Michael R. Nairn and John E. Packer pg 475; DOI: 10.1039/a808756c |
The synthesis and mesomorphic properties of 2,2,3-tri- and 2,2,3,3-tetra-fluoro-1,1 4,1 -terphenyls for high dielectric biaxiality ferroelectric liquid crystal mixturesMargaret E. Glendenning John W. Goodby Michael Hird and Kenneth J. Toyne pg 481; DOI: 10.1039/a808747d |
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Non-radiative deactivation of the excited states of europium, terbium and ytterbium complexes by proximate energy-matched OH, NH and CH oscillators: an improved luminescence method for establishing solution hydration states Andrew Beeby Ian M. Clarkson Rachel S. Dickins Stephen Faulkner David Parker Louise Royle Alvaro S. de Sousa J. A. Gareth Williams and Mark Woods pg 493; DOI: 10.1039/a808692c |
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Electron acceptors of the fluorene series. Part 8.1 Electrochemical and intramolecular charge transfer studies of thiophene functionalised fluorenes Peter J. Skabara Igor M. Serebryakov and Igor F. Perepichka pg 505; DOI: 10.1039/a808540d |
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Zirconium enolate radical cations in solution—characterisation and kinetics of their mesolytic Zr–O bond cleavage Michael Schmittel and Rolf Söllner pg 515; DOI: 10.1039/a808400i |
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Experimental and theoretical studies of a chiral azulenophane: synthesis, structure and circular dichroism spectra of 14,17-dimethyl[2](1,3)azuleno[2]paracyclophane Stefan Grimme Wolfram Mennicke Fritz Vögtle and Martin Nieger pg 521; DOI: 10.1039/a808320g |
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Conformational analysis of josamycin, a 16-membered macrolide free in solution and bound to bacterial ribosomes Josyane Gharbi-Benarous Nathalie Evrard-Todeschi Patrick Ladam Gildas Bertho Marcel Delaforge and Jean-Pierre Girault pg 529; DOI: 10.1039/a808309f |
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Two-path photo-induced electron transfer in naphthalimide-based model compound He Tian Tao Xu Yongbo Zhao and Kongchang Chen pg 545; DOI: 10.1039/a808123i |
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Persistent C60 anion-radical formation via photoinduced electron transfer from tetraphenylborate and triphenylbutylborate Toshifumi Konishi Yoshiko Sasaki Mamoru Fujitsuka Yasumasa Toba Hiroshi Moriyama and Osamu Ito pg 551; DOI: 10.1039/a808120d |
 Molecular-imprinting in polyion complexes which creates the memory for the AMP templateYasumasa Kanekiyo Yoshiyuki Ono Kazuhiko Inoue Masahito Sano and Seiji Shinkai pg 557; DOI: 10.1039/a808117d |
Molecular recognition study on supramolecular systems. Part 19. Circular dichroism studies of inclusion complexation of aliphatic alcohols by organoselenium modified -cyclodextrinsYu Liu Bin Li Bao-Hang Han Takehiko Wada and Yoshihisa Inoue pg 563; DOI: 10.1039/a808039i |
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Semi-empirical PM3 calculation reveals the relationship between the fluorescence characteristics of 4,7-disubstituted benzofurazan compounds, the LUMO energy and the dipole moment directed from the 4- to the 7-position Seiichi Uchiyama Tomofumi Santa and Kazuhiro Imai pg 569; DOI: 10.1039/a808010k |
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Subchromophore interactions in tricyanovinyl-substituted triarylamines—a combined experimental and computational study Christoph Lambert Wolfgang Gaschler Elmar Schmälzlin Klaus Meerholz and Christoph Bräuchle pg 577; DOI: 10.1039/a808009g |
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Evidence for hydrogen-bond enhanced structural anomeric effects from the protonation of two aminals, 5-methyl-1,5,9-triazabicyclo[7.3.1]tridecane and 1,4,8,11-tetraazatricyclo[9.3.1.14,8]hexadecane Roger W. Alder Tania M. G. Carniero Rodney W. Mowlam A. Guy Orpen Peter A. Petillo David J. Vachon Gary R. Weisman and Jonathan M. White pg 589; DOI: 10.1039/a807954d |
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Crown-containing styryl dyes: cation-induced self-assembly of multiphotochromic 15-crown-5 ethers into photoswitchable molecular devices Evgeny N. Ushakov Sergei P. Gromov Alexei V. Buevich Igor I. Baskin Olga A. Fedorova Artem I. Vedernikov Michael V. Alfimov Bertil Eliasson and Ulf Edlund pg 601; DOI: 10.1039/a807565d |
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Kinetics, spectral and redox behaviour of OH adducts of methylxanthines: a radiation chemical study1 Madhuri S. Vinchurkar B. S. Madhava Rao Hari Mohan and Jai P. Mittal pg 609; DOI: 10.1039/a807437b |
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The electrochemical oxidation of Riluzole, a neuroprotective drug: comparison with the reaction with oxygen derived radicals Mehmet A. Oturan Jean Pinson Mounir Traikia and Dominique Deprez pg 619; DOI: 10.1039/a807354f |
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New insight into experimental and theoretical properties of some para-like substituted 2-azidothiophenes Francesco Valenti and Paolo Zanirato pg 623; DOI: 10.1039/a807350c |
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Complexation of the basic amino acids lysine and arginine by three sulfonatocalix[n]arenes (n=4, 6 and 8) in water: microcalorimetric determination of the Gibbs energies, enthalpies and entropies of complexation Nathalie Douteau-Guével Anthony W. Coleman Jean-Pierre Morel and Nicole Morel-Desrosiers pg 629; DOI: 10.1039/a806855k |
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Hydrogen bonding in complexes of carboxylic acids with 1-alkylimidazoles: steric and isotopic effects on low barrier hydrogen bonding Constance S. Cassidy Laurie A. Reinhardt W. Wallace Cleland and Perry A. Frey pg 635; DOI: 10.1039/a806387g |
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Theoretical studies on cross interactions in the protonation equilibria of diaryl ketones Ikchoon Lee Chang Kon Kim Chan Kyung Kim and Dong Soo Chung pg 643; DOI: 10.1039/a806196c |
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Kinetics and thermodynamics of the reaction of aliphatic N-bromamines with bromide ion in acid media, and the pKa of N-bromamines Juan M. Antelo Florencio Arce Juan Crugeiras Edward T. Gray and Patricia Yebra pg 651; DOI: 10.1039/a805675g |
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Long-lived photoproduced radical ions in tetrathiafulvalenes covalently tethered to C60 Klaus B. Simonsen Valery V. Konovalov Tatyana A. Konovalova Tsuyoshi Kawai Michael P. Cava Lowell D. Kispert Robert M. Metzger and Jan Becher pg 657; DOI: 10.1039/a803737j |
Issue 4
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A pulsed gradient spin echo NMR study of guest encapsulation by hydrogen-bonded tetraurea calix[4]arene dimers Limor Frish Susan E. Matthews Volker Böhmer and Yoram Cohen pg 669; DOI: 10.1039/a900690g |
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The reaction of methyl radicals with hydrogen peroxide Piotr Ulanski Gabor Merenyi Johan Lind Rita Wagner and Clemens von Sonntag pg 673; DOI: 10.1039/a900686i |
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A theoretical investigation of conformational aspects of polymorphism. Part 2. Diarylamines Jonathan Starbuck Robert Docherty Michael H. CharltonDavidButtar and David Buttar pg 677; DOI: 10.1039/a809462d |
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Acidity and N-methylation of N-aryl-N-cyanoguanidines Ian D. Cunningham Brian G. Cox Nan Chi Wan David C. Povey and Gallienus W. Smith pg 693; DOI: 10.1039/a900953a |
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Kinetics and mechanism of nitrosation of toluene, o-xylene, and m-xylene in trifluoroacetic acid, or in acetic–sulfuric acid mixtures, under nitric oxide John H. Atherton Roy B. Moodie and Darren R. Noble pg 699; DOI: 10.1039/a900476i |
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Structural and energetic parallels between hydrogenated and fluorinated fullerenes: C36X6 Thomas Heine Patrick W. Fowler Kevin M. Rogers and Gotthard Seifert pg 707; DOI: 10.1039/a900471h |
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The solvatochromic behaviour of 2- and 4-pyridiniophenoxides Danilo González Ojars Neilands and Marcos Caroli Rezende pg 713; DOI: 10.1039/a900470j |
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Calix[4]arenes with CMPO functions at the narrow rim. Synthesis and extraction properties Silvia Barboso Alejandro Garcia Carrera Susan E. Matthews Françoise Arnaud-Neu Volker Böhmer Jean- François Dozol Hélène Rouquette and Marie-José Schwing-Weill pg 719; DOI: 10.1039/a900210c |
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Interconversion and decomposition of furanones Zhi Ping Xu Chup Yew Mok Wee Shong Chin Hsing Hua Huang Sheng Li and Wei Huang pg 725; DOI: 10.1039/a810028d |
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Chiral organometallic reagents. Part XXIV.1 Iodine ate-complexes as intermediates in the iodine–lithium exchange reaction on 1,1-diiodoalkanes Michael Müller Hans-Christian Stiasny Mark Brönstrup Andrew Burton and Reinhard W. Hoffmann pg 731; DOI: 10.1039/a900121b |
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Flavonol–serum albumin complexation. Two-electron oxidation of flavonols and their complexes with serum albumin Olivier Dangles Claire Dufour and Stephan Bret pg 737; DOI: 10.1039/a810017i |
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The molecular structures of 2-, 3- and 4-chloropyridine and chloropyrazine in the gas phase by electron diffraction and ab initio calculations Bruce A. Smart Carole A. Morrison Paul M. Papathomas Charles A. Brookman Heather E. Robertson and David W. H. Rankin pg 745; DOI: 10.1039/a809882d |
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The radical ions of acenaphtho[1,2-b][1,4]dithiine derivatives and acenaphtho[1,2-b][1,4]oxathiine: Solution EPR and ENDOR studies. The X-ray crystal structures of 8,9-bis(methylsulfanyl)acenaphtho[1,2-b][1,4]dithiine and its complexes with 7,7,8,8-tetracyano-p-quinodimethane (TCNQ), 2,5-dibromo-TCNQ and iodine Martin R. Bryce Alexander K. Lay Antony Chesney Andrei S. Batsanov Judith A. K. Howard Urs Buser Fabian Gerson and Pascal Merstetter pg 755; DOI: 10.1039/a809872g |
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Kinetics and mechanism of the aminolysis of phenyl substituted phenyl chlorophosphates with anilines in acetonitrile Arun Kanti Guha Hai Whang Lee and Ikchoon Lee pg 765; DOI: 10.1039/a809704f |
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Aziridination of alkenes using 2-substituted-3-acetoxyamino-quinazolin-4(3H)-ones: changes in transition state geometry resulting from addition of trifluoroacetic acid or by an electron-withdrawing 2-substituent Robert S. Atkinson and Sabri Ulukanli pg 771; DOI: 10.1039/a809703h |
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The radical-induced decomposition of 2-methoxyphenol Edwin Dorrestijn and Peter Mulder pg 777; DOI: 10.1039/a809619h |
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Photodynamics of the Paterno–Bchi cycloaddition of stilbene to quinone. Unusual modulation of electron-transfer kinetics by solvent and added salt Stephan M. Hubig Duoli Sun and Jay K. Kochi pg 781; DOI: 10.1039/a809595g |
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The mechanism of formation of 8,8-dimethyl[4.2.1.03,7]nonan-6-yl acetate (fortesyl acetate) during acetolysis of nopyl toluene-p-sulfonate Fawzia A. H. Al-Qallaf A. Gil Fortes Robert A. W. Johnstone Ian Thompson and David Whittaker pg 789; DOI: 10.1039/a809268k |
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Synthesis and structural analysis of copper(II) pyridine amide complexes as HIV-1 protease inhibitors Florence Lebon Marie Ledecq Zohra Benatallah Sames Sicsic René Lapouyade Olivier Kahn Arnaud Garçon Michèle Reboud-Ravaux and François Durant pg 795; DOI: 10.1039/a809270b |
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Modeling of tautomerism of pyridine-2(1H)-thione from vapor to solution Víctor Martínez-Merino and María J. Gil pg 801; DOI: 10.1039/a808818g |
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Hydrogen bonding properties and intermediate structure of N-(2-carboxyphenyl)salicylidenimine Alette G. J. Ligtenbarg Ronald Hage Auke Meetsma and Ben L. Feringa pg 807; DOI: 10.1039/a809497g |
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Necessity to consider a three-water chain in modelling the hydration of ketene imines and carbodiimides Minh Tho Nguyen Greet Raspoet and Luc G. Vanquickenborne pg 813; DOI: 10.1039/a809092k |
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[C2H4OS]>>+> Radical cations derived from alkyl thioformates: tandem mass spectrometry and molecular orbital calculations Driss Lahem Robert Flammang Hung Thanh Le Thanh Lam Nguyen and Minh Tho Nguyen pg 821; DOI: 10.1039/a807814i |
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The N-(1-phenylethyl)dithiocarbamate anion. Electronic transitions, ultraviolet and CD spectra, and reversible formation of its ammonium salts Knut Rang and Jan Sandström pg 827; DOI: 10.1039/a808815b |
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Molecular cleft possessing a cholic acid moiety as a podant and its conformation Shigeo Kohmoto Katsuya Sakayori Keiki Kishikawa and Makoto Yamamoto pg 833; DOI: 10.1039/a808755e |
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Calix[4]arene dibenzocrown ethers as caesium selective extractants Jong Seung Kim Jin Hyun Pang Ill Yong Yu Won Ku Lee Il Hwan Suh Jong Kuk Kim Moon Hwan Cho Eun Tae Kim and Do Young Ra pg 837; DOI: 10.1039/a808499h |
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Liquid-phase oxygenation of benzene over supported vanadium catalysts Masa-aki Ishida Yuki Masumoto Rei Hamada Satoru Nishiyama Shigeru Tsuruya and Mitsuo Masai pg 847; DOI: 10.1039/a808115h |
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Kinetic study on the reaction of tributylphosphine with methylviologen. Reactivity of the phosphine radical cation intermediate towards nucleophiles Shinro Yasui Kosei Shioji Munekazu Tsujimoto and Atsuyoshi Ohno pg 855; DOI: 10.1039/a807722c |
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Mechanistic studies on PET-oxidative cyclization of unsaturated silyl enol ethers: dependence of the regioselectivity on alcohol addition and pressure effects Lutz Ackermann Andreas Heidbreder Frank Wurche Frank-Gerrit Klärner and Jochen Mattay pg 863; DOI: 10.1039/a807683i |
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The kinetics and thermodynamics of quinone–semiquinone–hydroquinone systems under physiological conditions Vitaly A. Roginsky Leonid M. Pisarenko Wolf Bors and Christa Michel pg 871; DOI: 10.1039/a807650b |
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Conformational assignments and a nitrogen inversion process in some 3-acyloxy-1,3-oxazinanes by NMR and X-ray analysis Syed M. A. Hashmi Mohammed I. M. Wazeer M. Sakhawat Hussain Joseph H. Reibenspies Herman P. Perzanowski and Sk. Asrof Ali pg 877; DOI: 10.1039/a807273f |
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Two amidine derivatives studied by 1H, 13C, 14N, 15N NMR and GIAO-CHF calculations Jerzy W. Wiench Lech Stefaniak Eugeniusz Grech and El bieta Bednarek pg 885; DOI: 10.1039/a806259e |
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Effect of structures of bipyridinium salts on redox potential and its application to CO2 fixation Masato Kodaka and Yasuhiko Kubota pg 891; DOI: 10.1039/a806137h |
Dependence of 1H and 13C NMR chemical shifts on the PAHFSO3H ratios for 4H-cyclopenta[def ]phenanthrenium and pyrenium cations in SO2ClF. Possible existence of cation–anion interactions and coexistence of PAHH+–PAHSandro Hollenstein and Kenneth K. Laali pg 895; DOI: 10.1039/a810012h |
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AM1, INDO/S and optical studies of carbocations of carotenoid molecules. Acid induced isomerization Valery V. Konovalov and Lowell D. Kispert pg 901; DOI: 10.1039/a800551f |
Issue 5
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Amino-cyclodextrins as biomimetics: catalysis of the Kemp elimination Paul G. McCracken Colin G. Ferguson Dragos Vizitiu Caroline S. Walkinshaw Yu Wang and Gregory R. J. Thatcher pg 911; DOI: 10.1039/a901121h |
Phosphine photolabilisation studies of ( 5-C5H5)Fe(PPh3)(CO)COR (R=Me, Ph, 2,6-C6H3F2) and (5-C5Me5)Fe(PPh3)(CO)COR (R=Me, 2,6-C6H3F2) utilising NMR, laser desorption FT ICR MS and photofragmentation voltammetry analysisRobin T. Aplin Jonathan Booth Richard G. Compton Stephen G. Davies Simon Jones John P. McNally Michael R. Metzler and W. Carl Watkins pg 913; DOI: 10.1039/a900207c |
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EPR Evidence for hydroxyl- and substrate-derived radicals in Fe(II)-oxalate/hydrogen peroxide reactions. The importance of the reduction of Fe(III)-oxalate by oxygen-conjugated radicals to regenerate Fe(II) in reactions of carbohydrates and model compounds Jonathan S. B. Park Paul M. Wood Bruce C. Gilbert and Adrian C. Whitwood pg 923; DOI: 10.1039/a900882i |
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Designing new free-radical reducing agents: an ab initio study of hydrogen atom transfers from some silacyclopentadienes to methyl radical Carl H. Schiesser and Sabina Zahirovic pg 933; DOI: 10.1039/a900468h |
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Cascade rearrangement of spiroepoxymethyl radicals into 2-oxocycloalkyl radicals: evaluation of a two-carbon cycloalkanone ring expansion Mohammad Afzal and John C. Walton pg 937; DOI: 10.1039/a900377k |
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1,1,2,2-Tetramethyl-1,2-disilacycloocta-3,7-diyne — structure and bonding properties of a highly strained cyclic diyne Gebhard Haberhauer Frank Rominger and Rolf Gleiter pg 947; DOI: 10.1039/a900318e |
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Diastereospecific synthesis and amphiphilic properties of new alkyl -D-fructopyranosides Vincent Ferrières Thierry Benvegnu Martine Lefeuvre Daniel Plusquellec Grahame Mackenzie Marcus J. Watson Julie A. Haley John W. Goodby Ron Pindak and Mary K. Durbin pg 951; DOI: 10.1039/a900192a |
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meso-Aryl sapphyrins with heteroatoms; synthesis, characterization, spectral and electrochemical properties Alagar Srinivasan Simi K. Pushpan Murugaeson Ravi Kumar Sumeet Mahajan Tavarekere K. Chandrashekar Raja Roy and P. Ramamurthy pg 961; DOI: 10.1039/a900137i |
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Antioxidant effect of coumarin derivatives on free radical initiated and photosensitized peroxidation of linoleic acid in micelles Wei Yu Zai-Qun Liu and Zhong-Li Liu pg 969; DOI: 10.1039/a810022e |
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Copper(II)-assisted self-assembly of bis-N,O-bidentate Schiff bases: new building blocks for a double-helical supramolecular motif Noboru Yoshida Hiroki Oshio and Tasuku Ito pg 975; DOI: 10.1039/a809743g |
Synthesis, electrochemical investigation and EPR spectroscopy of a reversible four-stage redox system based on mesoionic 5,5-azinobis(1,3-diphenyltetrazole) and related mesoionic compounds Shuki Araki Kaori Yamamoto Tomoko Inoue Koji Fujimoto Hatsuo Yamamura Masao Kawai Yasuo Butsugan Jinkui Zhou Emerich Eichhorn Anton Rieker and Martina Huber pg 985; DOI: 10.1039/a809386e |
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Hydrogen-bond basicity pKHB scale of aliphatic primary amines Jérôme Graton Christian Laurence Michel Berthelot Jean-Yves Le Questel François Besseau and Ewa D. Raczynska pg 997; DOI: 10.1039/a809265f |
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A theoretical approach to understanding the fragmentation reaction of halonitrobenzene radical anions Adriana B. Pierini José S. Duca Jr.Domingo M. A. Vera pg 1003; DOI: 10.1039/a809210i |
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Absolute proton affinities of biphenyl and its derivatives Zvonimir B. Maksi  Danijela Bari and Borislav Kova evi pg 1011; DOI: 10.1039/a808501c |
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Accelerated singlet energy transfer in bis(phenylethynyl)phenylene-bridged 5,10,15,20-tetraaryl zinc–free base hybrid diporphyrins Atsuhiro Osuka Masako Ikeda Hideo Shiratori Yoshinobu Nishimura and Iwao Yamazaki pg 1019; DOI: 10.1039/a808396g |
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Stability of 11 and 21 -cyclodextrin–p-nitrophenyl acetate complexes and the effect of -cyclodextrin on acyl transfer to peroxide anion nucleophiles D. Martin Davies and Michael E. Deary pg 1027; DOI: 10.1039/a808312f |
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Chiroptical properties of the ketene and diazo chromophores. Part 2.1 Dissymmetric perturbing influence of -alkyl substituents on the n–* transitions in cyclic dialkylketenes and 2-diazoalkanes vs. cyclic ketones Gennady V. Shustov Fang Sun Ted S. Sorensen and Arvi Rauk pg 1035; DOI: 10.1039/a807591c |
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Catalytic asymmetric heterogeneous aziridination of alkenes using zeolite CuHY with [N-(p-tolylsulfonyl)imino]phenyliodinane as nitrene donor Christopher Langham Sophia Taylor Donald Bethell Paul McMorn Philip C. Bulman Page David J. Willock Chris Sly Frederick E. Hancock Frank King and Graham J. Hutchings pg 1043; DOI: 10.1039/a806409a |
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Formation of nitrile ylides in the addition of singlet carbene to nitrile compounds—laser flash photolysis of (biphenyl-4-yl)chlorodiazirine in the presence of nitrile compounds Ikuo Naito Akira Oku Yoshihisa Fijiwara and Yoshifumi Tanimoto pg 1051; DOI: 10.1039/a804675a |
Issue 6
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Formation of peroxynitrite from S-nitrosothiols and hydrogen peroxide Paul J. Coupe and D. Lyn H. Williams pg 1057; DOI: 10.1039/a902420d |
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Spin isomerisation of para-substituted phenyl cations Massimiliano Aschi and Jeremy N. Harvey pg 1059; DOI: 10.1039/a902279a |
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A molecular orbital study on a tetra-aza macrocycle containing 2,2-bipyridines and its lithium complex Keiko Takano Ayako Furuhama Shojiro Ogawa and Shinji Tsuchiya pg 1063; DOI: 10.1039/a808388f |
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Pseudopolymorphs of 3,5-dinitrosalicylic acid V. S. Senthil Kumar Srinivasan S. Kuduva and Gautam R. Desiraju pg 1069; DOI: 10.1039/a902134e |
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Photochemical generation of acrylate radicals by sensitizing with acetone–propan-2-ol. A laser photolysis Fourier transform electron paramagnetic resonance study Annett Beckert Sergej Naumov Reiner Mehnert and Dieter Beckert pg 1075; DOI: 10.1039/a901975h |
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An NMR study on the conformation of naphthalene–viologen linked compounds: effect of flexible spacer length Hee Jung Hwang Suk Kyoung Lee Sanghyuk Lee and Joon Woo Park pg 1081; DOI: 10.1039/a901699f |
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(2-Pyridyl)iminopropadienone Carsten Plüg Wilhelm Frank and Curt Wentrup pg 1087; DOI: 10.1039/a901632e |
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Intramolecular benzyl–benzyl interactions in protonated benzyl diethers in the gas phase. Effects of internal hydrogen bonding Marina Edelson-Averbukh Alexander Etinger and Asher Mandelbaum pg 1095; DOI: 10.1039/a901622h |
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Diazoacetaldehyde: completion of the rate profile for hydration of its photo-Wolff rearrangement product, ketene, in aqueous solution and kinetics and mechanism of acid-catalyzed hydrolysis of the diazoaldehyde Y. Chiang A. J. Kresge and V. V. Popik pg 1107; DOI: 10.1039/a901238i |
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Optical sensing of inorganic anions employing a synthetic receptor and ionic colorimetric dyes Kenichi Niikura Adrian P. Bisson and Eric V. Anslyn pg 1111; DOI: 10.1039/a901180c |
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Spectroscopic, kinetic and mechanistic studies of the influence of ligand and substrate concentration on the activation by peroxides of CuI–thiolate and other CuI complexes Bruce C. Gilbert Stephen Silvester and Paul H. Walton pg 1115; DOI: 10.1039/a901179j |
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Heterocyclic dyes displaying excited-state intramolecular proton-transfer reactions (ESIPT): computational study of the substitution effect on the electronic absorption spectra of 2-(2-hydroxyphenyl)-1,3-benzoxazole derivatives Maximiliano Segala Nei Sebastião Domingues Jr. Paolo Roberto Livotto and Valter Stefani pg 1123; DOI: 10.1039/a901158g |
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Sonolysis of tert-butyl alcohol in aqueous solution Armin Tauber Gertraud Mark Heinz-Peter Schuchmann and Clemens von Sonntag pg 1129; DOI: 10.1039/a901085h |
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Rotational isomerism and crystal structures of 9,9-dicyano-9,9-bifluorenyl and 9,9-dinitro-9,9-bifluorenyl Yu-Lin Lam Lip-Lin Koh Hsing-Hua Huang and Li Wang pg 1137; DOI: 10.1039/a900968j |
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1H and 31P NMR study of ADP and GDP spontaneous synthesis from 2-methylimidazole-activated AMP and GMP nucleotides and inorganic phosphate José Pereira and Ana Cadete pg 1143; DOI: 10.1039/a900884e |
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Z,E Isomerism and hindered rotations in malonamides: an NMR study of N,N-dimethyl-N,N-dibutyl-2-tetradecylpropane-1,3-diamide Lydie Lefrançois Marc Hébrant Christian Tondre Jean-Jacques Delpuech Claude Berthon and Charles Madic pg 1149; DOI: 10.1039/a900766k |
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Synthesis, protonation and Cu2+ co-ordination studies on a new family of thiophenophane receptors Juan A. Aguilar Pilar Díaz Antonio Doménech Enrique García-España José M. Llinares Santiago V. Luis José A. Ramírez and Conxa Soriano pg 1159; DOI: 10.1039/a900700h |
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Substituent effects on stability of ketenimines Kuangsen Sung pg 1169; DOI: 10.1039/a900288j |
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Synthesis and stereochemistry of -aryl--haloacroleins: useful intermediates for the preparation of (Z) and (E)-2-en-4-ynecarbaldehydes and for the synthesis of rubrolides Damien Prim Alexia Fuss Gilbert Kirsch and Artur M. S. Silva pg 1175; DOI: 10.1039/a900286c |
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Solvation and nucleophilic reactivity of conjugate-base anions of 5-methyl Meldrums acid and of 3,3-dimethylbarbituric acid in acetonitrile–methanol Yasuhiko Kondo Kouji Yano Miyuki Urade Aki Yamada Ruiko Kouyama and Tatsuya Takagi pg 1181; DOI: 10.1039/a900283i |
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Kinetic evidence for a novel, Grob-like substitution/fragmentation mechanism for the reaction of nucleophiles with trialkylammoniomethyl halides Michelle O. Fletcher Li Zhang Quyen Vu William R. Dolbier and Jr. pg 1187; DOI: 10.1039/a900218i |
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Complexation properties of anthracene-bridged bis-crown ethers Ryszard Ostaszewski Agnieszka Bo ek Marcin Pays and Zbigniew Stojek pg 1193; DOI: 10.1039/a900193j |
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Synthesis and redox potentials of methylated vitamin K derivatives Ralf Schmid Friederike Goebel André Warnecke and Andreas Labahn pg 1199; DOI: 10.1039/a900190e |
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Photochemistry of substituted 4-halogenophenols: effect of a CN substituent Florent Bonnichon Gottfried Grabner Ghislain Guyot and Claire Richard pg 1203; DOI: 10.1039/a900141g |
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Synthesis of novel uranyl salophene derivatives and evaluation as sensing molecules in chemically modified field effect transistors (CHEMFETs) Martijn M. G. Antonisse Bianca H. M. Snellink-Ruël Alina C. Ion Johan F. J. Engbersen and David N. Reinhoudt pg 1211; DOI: 10.1039/a810019e |
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Free radical induced oxidation of the azo dye Acid Yellow 9 Suresh Das Prashant V. Kamat Sarojini Padmaja Van Au and Stephen A. Madison pg 1219; DOI: 10.1039/a809720h |
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Photovoltaic response of carotenoid-sensitized electrode in aqueous solution: ITO coated with a mixture of TiO2 nanoparticles, carotenoid, and polyvinylcarbazole Guoqiang Gao Gao Yi Deng and Lowell D. Kispert pg 1225; DOI: 10.1039/a809706b |
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Synthesis of a series of dichloroamino- and dihalosulfonamido-1,3,5-triazines and investigation of their hindered rotation and stereodynamic behaviour by NMR spectroscopy Stuart A. Brewer Helen T. Burnell Ian Holden Brian G. Jones and Colin R. Willis pg 1231; DOI: 10.1039/a808753i |
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Cation complexation of quinocrown ethers in electrospray ionization mass spectrometry. A comparison with benzocrown ethers Akihiko Tsuda Hiroshi Moriwaki and Takumi Oshima pg 1235; DOI: 10.1039/a808752k |
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Generation of aryltropylium ions from the corresponding bitropyls by electrochemical and photoinduced electron transfer Dirk Jacobi Werner Abraham Uwe Pischel Lutz Grubert and Wolfram Schnabel pg 1241; DOI: 10.1039/a807270a |
1,3-Dipolar cycloadditions of thionitroso compounds (R–N S): a density functional theory studyTrung Ngoc Le Loc Thanh Nguyen Asit K. Chandra Frank De Proft Paul Geerlings and Minh Tho Nguyen pg 1249; DOI: 10.1039/a806687f |
Host–guest complexation of aromatic carboxylic acids and their conjugate bases by 6A-( -aminoalkylamino)-6A-deoxy--cyclodextrins in aqueous solutionSuzanna D. Kean Bruce L. May Philip Clements Stephen F. Lincoln and Christopher J. Easton pg 1257; DOI: 10.1039/a806488a |
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NMR studies on intramolecular mobility of ortho-substituted push-pull phenyl butadienes Thomas Freier Manfred Michalik Klaus Peseke and Helmut Reinke pg 1265; DOI: 10.1039/a805857a |
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Synthesis and silver ion complexation behavior of fluoroionophores containing a benzothiazolyl group linked to an N-phenylpolythiazaalkane moiety Junichi Ishikawa Hidefumi Sakamoto and Hiroko Wada pg 1273; DOI: 10.1039/a805054f |
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The lack of influence of electronic effects on the stereochemistry of the oxidation of aryl thiophosphates Barbara Gordillo Magali Salas and Javier Hernández pg 1281; DOI: 10.1039/a800849c |
Issue 7
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The extremely low intrinsic reactivity of the P-(formylmethyl)triphenylphosphonium cation: an artefact due to strong covalent hydration of the carbonyl group G. Moutiers Y. X. Peng A. Peignieux M. J. Pouet and F. Terrier pg 1287; DOI: 10.1039/a903667i |
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Novel preparation method for multi-layered, tubular silica using an azacrown-appended cholesterol as template and metal-deposition into the interlayer space Jong Hwa Jung Yoshiyuki Ono and Seiji Shinkai pg 1289; DOI: 10.1039/a903425k |
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Layer-by-layer deposition of avidin and biotin-labeled antibody on a solid surface to prepare a multilayer array of antibody Tomonori Hoshi Hidekazu Saiki and Jun-ichi Anzai pg 1293; DOI: 10.1039/a902951f |
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Salt effects and kinetic isotope effects interconnected. Evidence for the involvement of chloride ion in the C–H bond breaking in aqueous solution? Stanko Ur  i Monika Lovrek Ivana VinkoviVrek and Viktor Pilepi pg 1295; DOI: 10.1039/a902764e |
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Synthesis of 9-cyanophenanthrene–furan and –benzene cyclodimers and their reversion Taehee Noh Kyungmoon Jeon Youngmee Jeong Shinho Jang and Kil Sik Min pg 1299; DOI: 10.1039/a902714i |
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Molecular interaction between cinchonidine and acetic acid studied by NMR, FTIR and ab initio methods Davide Ferri Thomas Bürgi and Alfons Baiker pg 1305; DOI: 10.1039/a902514f |
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Distortion of the amide bond in amides and lactams. Photoelectron-spectrum and electronic structure of 3,5,7-trimethyl-1-azaadamantan-2-one, the most twisted amide Anthony J. Kirby Igor V. Komarov Klaus Kowski and Paul Rademacher pg 1313; DOI: 10.1039/a902321f |
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Predictions of 13C chemical shifts in carbocations. The use of scaled chemical shifts calculated using GIAO DFT methods Valerije Vr ek Olga Kronja and Hans-Ullrich Siehl pg 1317; DOI: 10.1039/a902184a |
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Photoswitchable molecular pincers: synthesis, self-assembly into sandwich complexes and ion-selective intramolecular [2+2]-photocycloaddition of an unsaturated bis-15-crown-5 ether Sergei P. Gromov Olga A. Fedorova Evgeny N. Ushakov Alexei V. Buevich Igor I. Baskin Yuliya V. Pershina Bertil Eliasson Ulf Edlund and Michael V. Alfimov pg 1323; DOI: 10.1039/a902151e |
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The increasing tightness of fully associated states as a function of their increasing stability. The dimerisation of carboxylic acids Dudley H. Williams Thomas F. Gale and Ben Bardsley pg 1331; DOI: 10.1039/a902147g |
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Epoxidation of cyclohexene with active oxygen species produced by reducing dioxygen in the presence of Br– ion Yoshihiro Tsuda Syuichi Matsui and Kohshin Takahashi pg 1335; DOI: 10.1039/a902002k |
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New aspects concerning the mechanism of the ketone-catalysed decomposition of Caros acid Andreas Lange Markus Hild and Hans-Dieter Brauer pg 1343; DOI: 10.1039/a901976f |
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Analysis of a concerted mechanism in -lactam enzymatic hydrolysis. A quantum mechanics/molecular mechanics study Jesús Pitarch Juan-Luis Pascual-Ahuir Estanislao Silla Iñaki Tuñón and Vicente Moliner pg 1351; DOI: 10.1039/a901869g |
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The first basicity scale of fluoro-, chloro-, bromo- and iodo-alkanes: some cross-comparisons with simple alkyl derivatives of other elements Carole Ouvrard Michel Berthelot and Christian Laurence pg 1357; DOI: 10.1039/a901867k |
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Interaction between trialkyl phosphites and aminoxyl radicals: a model study for polymer stabilization Alexander Mar in Elisabetta Damiani Stefania Canestrari Paul Dubs and Lucedio Greci pg 1363; DOI: 10.1039/a901741k |
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Stereoelectronic effect in the capture reaction of the 1,2-dimesityl-2-phenylvinyl radical Xin Chen Hiroshi Yamataka Carlo Galli and Zvi Rappoport pg 1369; DOI: 10.1039/a901671f |
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The acid-catalyzed rearrangement of deuterium-labeled 2,3-dimethylbutan-2-ol; the concentration of the intermediate cation Olga Kronja Mladen Biru and Martin Saunders pg 1375; DOI: 10.1039/a901463b |
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Effect of metal ions and sequence of deoxyribozymes on their RNA cleavage activity Naoki Sugimoto Yasuhide Okumoto and Tatsuo Ohmichi pg 1381; DOI: 10.1039/a901461f |
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One-electron oxidation of quercetin and quercetin derivatives in protic and non protic media Olivier Dangles Guillaume Fargeix and Claire Dufour pg 1387; DOI: 10.1039/a901460h |
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Mechanisms of solvolytic elimination reactions of tertiary substrates: stereospecific 1,2-elimination reactions Qingshui Meng and Alf Thibblin pg 1397; DOI: 10.1039/a901296f |
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The acid-catalysed rearrangements of 4,5-bis(2-thienylhydroxymethyl)-1,3-dithiole-2-thione Igor M. Serebryakov Peter J. Skabara and Igor F. Perepichka pg 1405; DOI: 10.1039/a901178a |
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Disulfide anion radical equilibria: effects of -NH3+, -CO2–, -NHC(O)- and -CH3 groups Stephen P. Mezyk and David A. Armstrong pg 1411; DOI: 10.1039/a901155b |
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Metal(IV) phosphate catalysed retro-Prins reaction involving an oxetane intermediate Fawzia A. H. Al-Qallaf Robert A. W. Johnstone Jun-Yao Liu Ling Lu and David Whittaker pg 1421; DOI: 10.1039/a901122f |
Structure–reactivity studies on  OH radical reaction with substituted dialkyl sulfidesV. B. Gawandi H. Mohan and J. P. Mittal pg 1425; DOI: 10.1039/a900830f |
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2-Aminopyrrole and simple 1-substituted 2-aminopyrroles: preparation and ab initio study on the effect of solvent on the amino–imino tautomeric equilibrium Michael De Rosa Roy P. Issac Manuel Marquez Modesto Orozco Francisco J. Luque and Mark D. Timken pg 1433; DOI: 10.1039/a900762h |
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Influence of solvent polarity on the photoreactivity of 2–4-ring aromatic o-quinones Mónica Barra Edward D. Harder and Jonathan P. Balfe pg 1439; DOI: 10.1039/a900760a |
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Evidence for a concentration dependent 6(7)Li NMR contact shift in tetrahydrofuran solutions of lithium naphthalene radical anion and the effect of added 6(7)LiCl Maria Micha-Screttas George A. Heropoulos and Barry R. Steele pg 1443; DOI: 10.1039/a900705i |
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NMR studies of chemical exchange amongst five conformers of a ten-membered ring compound containing two amide bonds and a disulfide Alex D. Bain Russell A. Bell Daniel A. Fletcher Paul Hazendonk Rob A. Maharajh Suzie Rigby and John F. Valliant pg 1447; DOI: 10.1039/a900502a |
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Kinetics and mechanism of reactions between 2,4,6-trinitrofluorobenzene and alcohols Luciano Forlani Carla Boga and Marcello Forconi pg 1455; DOI: 10.1039/a900436j |
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Nature of the transition state in gas phase SN2 identity reactions: correlation between nucleophilicity and proton affinity Einar Uggerud pg 1459; DOI: 10.1039/a900379g |
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Examples of SN2 reactions with small or non-existent energy barriers Einar Uggerud pg 1465; DOI: 10.1039/a900380k |
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Pyramidal inversion energies and conformational analysis of chalcogen-onium imides based on ab initio MO calculations Toshio Shimizu Nobumasa Kamigata and Shigeru Ikuta pg 1469; DOI: 10.1039/a900315k |
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The 3He NMR spectra of C60F18 and C60F36; the parallel between hydrogenation and fluorination Olga V. Boltalina Michael Bühl Anthony Khong Martin Saunders Joan M. Street and Roger Taylor pg 1475; DOI: 10.1039/a900313d |
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Synthesis, structural characterization and antioxidative properties of aminopyrazine and imidazolopyrazine derivatives Ingrid Devillers Bertrand de Wergifosse Marie-Pierre Bruneau Bernard Tinant Jean-Paul Declercq Roland Touillaux Jean-François Rees and Jacqueline Marchand-Brynaert pg 1481; DOI: 10.1039/a900289h |
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trans-2,2-Dinitrostilbene as a precursor of o-nitrobenzaldehyde, a key intermediate for pharmaceuticals: reactivity and molecular structure studies Claro I. Sainz-Diaz and Alfonso Hernandez-Laguna pg 1489; DOI: 10.1039/a900205g |
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Correlation analysis of carbonyl carbon 13C NMR chemical shifts, IR absorption frequencies and rate coefficients of nucleophilic acyl substitutions. A novel explanation for the substituent dependence of reactivity Helmi Neuvonen and Kari Neuvonen pg 1497; DOI: 10.1039/a900189a |
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Methyl- and methoxy-substituted di[1,4]benzodithiio[2,3-b:2,3-e]pyridines as new electron donor compounds: synthesis, molecular structure, electrochemical properties, and EPR studies B. Bueno B. Esteve J. Irurre E. Brillas X. Torrelles J. Rius A. Alvarez-Larena J. F. Piniella C. Alemán and L. Juliá pg 1503; DOI: 10.1039/a900148d |
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A comparative investigation of the consistent valence and extensible systematic force fields. A case study on the conformation of erythromycin A in benzene José C. Martins Rudolph Willem and Monique Biesemans pg 1513; DOI: 10.1039/a810003i |
Synthesis and photophysical properties of  center-to-edge type phosphorus(V) porphyrin arraysKimihiro Susumu Kazuyoshi Tanaka Takeo Shimidzu Yasuko Takeuchi and Hiroshi Segawa pg 1521; DOI: 10.1039/a809840i |
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The strength of the 3-gauche effect dictates the structure of 3-O-anthraniloyladenosine and its 5-phosphate, two analogues of the 3-end of aminoacyl-tRNA Parag Acharya Barbara Nawrot Mathias Sprinzl Christophe Thibaudeau and Jyoti Chattopadhyaya pg 1531; DOI: 10.1039/a809350d |
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Characterisation of Cpn60 (GroEL) bound cytochrome c: the passive role of molecular chaperones in assisted folding/refolding of proteins Claire M. Smith Reto J. Kohler Erhard Barho Talal S. H. El-Thaher Monika Preuss and Andrew D. Miller pg 1537; DOI: 10.1039/a808786e |
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Self-stacking of naphthalene bis(dicarboximide)s probed by NMR Vera Steullet and Dabney W. Dixon pg 1547; DOI: 10.1039/a801441h |
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The dithiacyclooctane cation (DTCO+): conformational analysis, interconversion barriers and bonding Ralf Stowasser Richard S. Glass and Roald Hoffmann pg 1559; DOI: 10.1039/a805100c |
Issue 8
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Branched ferrocene derivatives: using redox potential to probe the dendritic interior David K. Smith pg 1563; DOI: 10.1039/a903608c |
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The EPR identification of bis(2,4,6-tri-tert-butylphenyl)-1,3-diphosphaallyl radical Angelo Alberti Massimo Benaglia Maurizio Guerra Andrew Hudson and Dante Macciantelli pg 1567; DOI: 10.1039/a903893k |
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Molecular engineering. Part 5.1 Tuning the constrictive binding of container host by the atomic order of portal pillars Chaesang Ihm Minkyu Kim Hyejae Ihm and Kyungsoo Paek pg 1569; DOI: 10.1039/a903120k |
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The self-assembly of fullerene-containing [2]pseudorotaxanes: formation of a supramolecular C60 dimer François Diederich Luis Echegoyen Marcos Gómez-López Roland Kessinger and J. Fraser Stoddart pg 1577; DOI: 10.1039/a903687c |
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Enantiomerization kinetics studied by dynamic enantioselective liquid chromatography: Solvent, temperature and stationary phase effects on the rate of N-benzyl-1,3,2-benzodithiazole 1-oxide enantiomer interconversion Joakim Oxelbark and Stig Allenmark pg 1587; DOI: 10.1039/a904649f |
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Spectroscopic characterization by laser flash photolysis of electrophilic intermediates derived from 4-aminostilbenes. Stilbene nitrenium ions and quinone methide imines Rohit Bose Abid R. Ahmad Andrew P. Dicks Michael Novak Kelly J. Kayser and Robert A. McClelland pg 1591; DOI: 10.1039/a904230j |
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Irradiation of 5-azido-8-methoxypsoralen in water–acetonitrile gives nitrenium ion and triplet nitrene transients, but only nitrenium ion products Pratima Ramlall Yuzhuo Li and Robert A. McClelland pg 1601; DOI: 10.1039/a902317h |
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The kinetics of isomerization of 3-methylpentane catalyzed by trifluoromethanesulfonic acid1 Dan F  rca iu and Povilas Lukinskas pg 1609; DOI: 10.1039/a903960k |
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First determination of an activation volume for the osmium-catalyzed dihydroxylation of an alkene Reinhard Räcker Muriel Nicolas Boris Schmidt and Oliver Reiser pg 1615; DOI: 10.1039/a903706c |
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The mechanism of the metal ion promoted cleavage of RNA phosphodiester bonds involves a general acid catalysis by the metal aquo ion on the departure of the leaving group Satu Mikkola Eeva Stenman Kirsi Nurmi Esmail Yousefi-Salakdeh Roger Strömberg and Harri Lönnberg pg 1619; DOI: 10.1039/a903691a |
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Reaction of 2,4-dinitrochlorobenzene with aniline. Solvent effects and molecular complex formation N. Sbarbati Nudelman Monica Savini C. E. Silvana Alvaro Viviane Nicotra and Jeanette Yankelevich pg 1627; DOI: 10.1039/a903559a |
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The interplay of electronic, steric and stereoelectronic effects in hydrogen-atom abstraction reactions of SO4–, revealed by EPR spectroscopy Bruce C. Gilbert John R. Lindsay Smith Philip Taylor Steven Ward and Adrian C. Whitwood pg 1631; DOI: 10.1039/a903399h |
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Competing intermolecular and intramolecular hydride transfers in the ionic hydrogenation of (2-alkoxyphenyl)di(1-adamantyl)methanols John S. Lomas and Jacqueline Vaissermann pg 1639; DOI: 10.1039/a903303c |
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Hybrid compounds derived from the combination of anthracycline and actinorhodin biosynthetic pathways Tero Kunnari Jaana Kantola Kristiina Ylihonko Karel D. Klika Pekka Mäntsälä and Juha Hakala pg 1649; DOI: 10.1039/a903248g |
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Ionization potentials of porphyrins and phthalocyanines. A comparative benchmark study of fast improvements of Koopman's Theorem Dennis P. Piet David Danovich Han Zuilhof and Ernst J. R. Sudhölter pg 1653; DOI: 10.1039/a903296g |
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Conformational analysis, Part 32. NMR, solvation and theoretical investigation of conformational isomerism in 3-fluorobutan-2-one and 3,3-difluorobutan-2-one Raymond J. Abraham Claudio F. Tormena and Roberto Rittner pg 1663; DOI: 10.1039/a903161h |
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Kinetic and equilibrium studies of the ambident reactivity of aniline, and some derivatives, towards 4,6-dinitrobenzofuroxan Michael R. Crampton and Lynsey C. Rabbitt pg 1669; DOI: 10.1039/a903123e |
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Phenanthroline-containing macrocycles as multifunctional receptors for nucleotide anions. A thermodynamic and NMR study Carla Bazzicalupi Alessia Beconcini Andrea Bencini Vieri Fusi Claudia Giorgi Andrea Masotti and Barbara Valtancoli pg 1675; DOI: 10.1039/a903059j |
Formation and characterization of methoxy isothiocyanate (CH3ONCS) and methyl cyanate N-sulfide (CH3OC N+–S–) as radical cations and neutrals in the gas phaseRobert Flammang Pascal Gerbaux Monique Barbieux-Flammang Carl Th. Pedersen Allan T. Bech Eva H. Mørkved Ming Wah Wong and Curt Wentrup pg 1683; DOI: 10.1039/a903057c |
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Photoisomerization of (2-cyanoethyl)(isonicotinic acid)cobaloxime complex in a series of isostructural host–guest complex crystals Daisuke Hashizume and Yuji Ohashi pg 1689; DOI: 10.1039/a902900a |
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Oxidation of aryl-substituted cycloheptatrienes by photoinduced electron transfer Dirk Jacobi Werner Abraham Uwe Pischel Lutz Grubert R. Stösser and Wolfram Schnabel pg 1695; DOI: 10.1039/a902662b |
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Acid-catalysed N–alkyl heterolysis of tertiary pyridinecarboxamides and benzamides under mild conditions Nicolas Auzeil Martine Largeron and Maurice-Bernard Fleury pg 1703; DOI: 10.1039/a902521i |
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Deacylation of 4-nitrophenyl acetate by 6A-(-aminoalkyl)amino-6A-deoxy--cyclodextrins Kahlee Redman Bruce L. May Suzanna D. Kean Philip Clements Christopher J. Easton and Stephen F. Lincoln pg 1711; DOI: 10.1039/a902359c |
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Is hyperconjugation responsible for the gauche effect in 1-fluoropropane and other 2-substituted-1-fluoroethanes? Paul R. Rablen Reinhard W. Hoffmann David A. Hrovat and Weston Thatcher Borden pg 1719; DOI: 10.1039/a901974j |
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Modulation of cation binding in calix[4]arene amides: synthesis, complexation and molecular modelling studies Françoise Arnaud-Neu Silvia Barboso Frédéric Berny Alessandro Casnati Nicolas Muzet Alessandra Pinalli Rocco Ungaro Marie-José Schwing-Weill and Georges Wipff pg 1727; DOI: 10.1039/a902001b |
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Synthesis and spectroscopic characterisation of fluorescent indicators for Na+ and K+ based on (di)pyridino crown ethers Abdellah Tahri Els Cielen Koen J. Van Aken Georges J. Hoornaert Frans C. De Schryver and Noël Boens pg 1739; DOI: 10.1039/a901941c |
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Synthesis and conformational studies of a series of 5,17-bis-aryl-25,26,27,28-tetrapropoxycalix[4]arenes: the influence of – interactions on the molecular structure Mogens Larsen Frederik C. Krebs Niels Harrit and Mikkel Jørgensen pg 1749; DOI: 10.1039/a901881f |
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Evaluation of various spin traps for the in vivo in situ detection of hydroxyl radical Pei Tsai Sovitj Pou Rebecca Straus and Gerald M. Rosen pg 1759; DOI: 10.1039/a901566c |
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New strategies for new organic molecules with large second order hyperpolarizabilities M. Chiara Magnoni Paolo Mondini Mirella Del Zoppo Chiara Castiglioni and Giuseppe Zerbi pg 1765; DOI: 10.1039/a901539f |
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Photocycloaddition and ortho-hydrogen abstraction reactions of methyl arylglyoxylates: structure dependent reactivities Shengkui Hu and Douglas C. Neckers pg 1771; DOI: 10.1039/a901092k |
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Transition structures of intramolecular ene reactions in the presence of activating substituents: a theoretical study Gourab Kanti Das pg 1779; DOI: 10.1039/a900831d |
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Conformation and thermal inversion of 10,11-dihydro-5H-dibenzo[a,d]cycloheptene ring spiro-linked to homoquinones Takumi Oshima Schunpei Fujii Toshihiko Takatani Ken Kokubo and Tatsuya Kawamoto pg 1783; DOI: 10.1039/a900475k |
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Conformational interconversions of partially dehydroxylated calix[4]arenes. A molecular mechanics study1 Iris Thondorf pg 1791; DOI: 10.1039/a900168i |
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Interactions between aminocalixarenes and nucleotides or nucleic acids Youheng Shi and Hans-Jörg Schneider pg 1797; DOI: 10.1039/a900204i |
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Hybrid density functional theory study of low reactivity of imidazol-2-ylidine toward insertion and addition reactions Branko S. Jursic pg 1805; DOI: 10.1039/a809040h |
Issue 9
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Ab initio SCF-MO study of the Staudinger phosphorylation reaction between a phosphane and an azide to form a phosphazene Mateo Alajarin Carlota Conesa and Henry S. Rzepa pg 1811; DOI: 10.1039/a904474d |
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Zeolite catalysis of aromatic nitrations with dinitrogen pentoxide Robert P. Claridge N. Llewellyn Lancaster Ross W. Millar Roy B. Moodie and John P. B. Sandall pg 1815; DOI: 10.1039/a905118j |
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Molecular modelling studies on the reactions of fluoroalkenes with sulfur trioxide John O. Morley David W. Roberts and Simon P. Watson pg 1819; DOI: 10.1039/a902645b |
Conformational and configurational behaviour of  -agonistic 3,7-diazabicyclo[3.3.1]nonan-9-ones—synthesis, nuclear magnetic resonance studies and semiempirical PM3 calculationsTom Siener Ulrike Holzgrabe Susanne Drosihn and Wolfgang Brandt pg 1827; DOI: 10.1039/a806641h |
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1,2- versus 1,4-Addition to -donor-cyclopenten-1-ones; a comparison of calculated and experimental data Hanna S. H. Gautun Rolf Carlson and Per N. Skancke pg 1835; DOI: 10.1039/a905444h |
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Crystallographic and NMR analysis of 9-phenylthiophenanthrene and 9-tert-butylthiophenanthrene Kaija Sipilä Jarno Kansikas and Markku Mesilaakso pg 1841; DOI: 10.1039/a904964i |
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Estimation of electronic effects in aromatic systems Arne Brändström pg 1847; DOI: 10.1039/a904818i |
Prediction of Tafts  * parameter for alkyl groups and alkyl groups containing polar substituentsArne Brändström pg 1855; DOI: 10.1039/a904819g |
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Subtle differences in molecular recognition between modified glycopeptide antibiotics and bacterial receptor peptides identified by electrospray ionization mass spectrometry Thomas J. D. Jørgensen Thomas Staroske Peter Roepstorff Dudley H. Williams and Albert J. R. Heck pg 1859; DOI: 10.1039/a904504j |
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Formation of aminoxyls by oxidative addition of N-tert-butylhydroxylamine to acceptor olefins Lennart Eberson pg 1865; DOI: 10.1039/a904368c |
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Alkoxy isothiocyanates, RO–NCS Allan T. Bech Robert Flammang Carl Th. Pedersen Ming Wah Wong and Curt Wentrup pg 1869; DOI: 10.1039/a903865e |
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Hydroxyl radical-induced degradation of 2-deoxyguanosine under reducing conditions Thierry Douki Sandrine Spinelli Jean-Luc Ravanat and Jean Cadet pg 1875; DOI: 10.1039/a903690c |
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Tetrabenzo[ab,f,jk,o][18]annulene: synthesis, crystal structure analysis, ab initio quantum-chemical studies of intermolecular interactions in the gas phase and in crystalline states, photodimerization and photopolymerization Richeng Yu Alexander Yakimansky Ingrid G. Voigt-Martin Michael Fetten C. Schnorpfeil Dieter Schollmeyer and Herbert Meier pg 1881; DOI: 10.1039/a903451j |
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DNA damage via intercalation of copper complexes and activation by ascorbate and peroxides: direct EPR evidence for hydroxyl radical formation and reaction Bruce C. Gilbert Stephen Silvester Paul H. Walton and Adrian C. Whitwood pg 1891; DOI: 10.1039/a903403j |
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Electron self-exchange kinetics between 2,3-dicyano-5,6-dichloro-p-benzoquinone (DDQ) and its radical anion. Part 1. Solvent dynamical effects Günter Grampp Stephan Landgraf and Kjeld Rasmussen pg 1897; DOI: 10.1039/a903394g |
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Photochemistry of some fluoroquinolones: effect of pH and chloride ion Elisa Fasani Michela Rampi and Angelo Albini pg 1901; DOI: 10.1039/a903389k |
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Development of fluorescence probes based on stilbazolium salts for monitoring free radical polymerization processes Stanis aw Wróblewski Katarzyna Trzebiatowska Beata J drzejewska Marek Pietrzak Ryszard Gawinecki and Jerzy P czkowski pg 1909; DOI: 10.1039/a902904d |
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(Nitrosonaphtholato)metal complex-catalyzed oxidation of phenols and alkenes Hiroshi Nishino Hideaki Satoh Mayumi Yamashita and Kazu Kurosawa pg 1919; DOI: 10.1039/a902902h |
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Au-nanoparticle–bis-bipyridinium cyclophane superstructures: assembly, characterization and sensoric applications Michal Lahav Andrew N. Shipway and Itamar Willner pg 1925; DOI: 10.1039/a902763g |
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Photochemistry of substituted cyclic enones. Part 12.1 Photocycloaddition of 3-phenylcyclopentenone and 3-phenylcyclohexenone to (E)- and (Z)-1-phenylpropene J. F. Daniel Kelly John M. Kelly and T. Brian H. McMurry pg 1933; DOI: 10.1039/a902661d |
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The oxidation of azo dyes by peroxy acids and tert-butyl hydroperoxide in aqueous solution catalysed by iron(III) 5,10,15,20-tetra(2,6-dichloro-3-sulfonatophenyl)porphyrin: product studies and mechanism George R. Hodges John R. Lindsay Smith and John Oakes pg 1943; DOI: 10.1039/a902331c |
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Hammett–Taft and Drago models in the prediction of acidity constant values of neutral and cationic acids in methanol Elisabeth Bosch Fernando Rived Martí Rosés and Joaquim Sales pg 1953; DOI: 10.1039/a902143d |
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The cheletropic ene-reaction and its reversal; additions to 1,2,3,4-tetrachloro-5-methylenecyclohexa-1,3-diene Wolfram Grimme *Michael W. Härter and Christoph A. Sklorz pg 1959; DOI: 10.1039/a901770d |
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Conformations of, and NHO hydrogen bond in, piperidine-1-valeric acid and its dihydrate Zofia Dega-Szafran Andrzej Katrusiak and Miros aw Szafran pg 1967; DOI: 10.1039/a901635j |
Issue 10
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Design and synthesis of macrocyclic ligands for specific interaction with crystalline ettringite and demonstration of a viable mechanism for the setting of cement Jonathan L. W. Griffin Peter V. Coveney Andrew Whiting and Roger Davey pg 1973; DOI: 10.1039/a902760b |
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Novel base-catalysed formation of benzo[b]furano[60]- and -[70]fullerenes Adam D. Darwish Anthony G. Avent Harold W. Kroto Roger Taylor and David R. M. Walton pg 1983; DOI: 10.1039/a905123f |
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Reactivity of nitrogen nucleophiles towards S-nitrosopenicillamine Andrew P. Munro and D. Lyn H. Williams pg 1989; DOI: 10.1039/a905901f |
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New sugar-based gelators with an amino group, the gelation ability of which is remarkably reinforced by the hydrogen bond and the metal coordination Natsuki Amanokura Yasumasa Kanekiyo Seiji Shinkai and David N. Reinhoudt pg 1995; DOI: 10.1039/a903298c |
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Rotation barriers in aryl- and heteroaryldi(1-adamantyl)methyl systems; the ionic hydrogenation of heteroaryldi(1-adamantyl)methanols John S. Lomas Jean-Christophe Lacroix and Jacqueline Vaissermann pg 2001; DOI: 10.1039/a905455c |
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NMR and X-ray structural study of saturated (p-chlorophenyl)pyrrolo[1,2-a][3,1]benzoxazin-1-ones prepared from aroylisobutyric acid and cyclic amino alcohols. High energy barriers for hindered rotation of bridgehead phenyl groups Petri Tähtinen Reijo Sillanpää Géza Stájer Angela E. Szabó and Kalevi Pihlaja pg 2011; DOI: 10.1039/a905445f |
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Independent sets and the prediction of addition patterns for higher fullerenes Patrick W. Fowler Kevin M. Rogers Ken R. Somers and Alessandro Troisi pg 2023; DOI: 10.1039/a905405g |
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Photoinduced diastereoselective pinacolisation of 4-oxo-4-phenylbutanamides to 4,5-dihydroxy-4,5-diphenyloctanediamides Ute Lindemann Markus Neuburger Margareta Neuburger-Zehnder Dirk Wulff-Molder and Pablo Wessig pg 2029; DOI: 10.1039/a905040j |
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The 3He NMR spectra of a [60]fullerene cation and some arylated [60]fullerenes Paul R. Birkett Michael Bühl Anthony Khong Martin Saunders and Roger Taylor pg 2037; DOI: 10.1039/a904939h |
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An ab initio study of -fragmentation reactions in some alkoxyacyl (alkoxycarbonyl) and related radicals Tauna Morihovitis Carl H. Schiesser and Melissa A. Skidmore pg 2041; DOI: 10.1039/a904809j |
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Production of OH radicals in the autoxidation of the Fe(II)–EDTA system Irina L. Yurkova Heinz-Peter Schuchmann and Clemens von Sonntag pg 2049; DOI: 10.1039/a904739e |
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Structure, conformation, anomeric effects and rotational barriers in the HERON amides, N,N-diacyl-N,N-dialkoxyhydrazines Stephen A. Glover Guoning Mo Arvi Rauk David J. Tucker and Peter Turner pg 2053; DOI: 10.1039/a904575i |
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Effects of amino acids substitution of hydrophobic residues on haem-binding properties of designed two--helix peptides Seiji Sakamoto Ikuo Obataya Akihiko Ueno and Hisakazu Mihara pg 2059; DOI: 10.1039/a904573b |
The reaction of diphenyl and dialkyl phosphorochloridates with 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU). Formation of phosphonate diesters via N C phosphorus migrationAnnika Kers Inger Kers and Jacek Stawinski pg 2071; DOI: 10.1039/a904502c |
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Conformation of cis,trans-1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid derivatives: crystal structures and semiempirical molecular orbital calculations Pierre Thuéry Martine Nierlich Bruce W. Baldwin Yoshio Aoki and Takuji Hirose pg 2077; DOI: 10.1039/a904475b |
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Synthesis, X-ray analysis and spectroscopic characterization of the hemiaminal cyclization product from 2,4-dipyridine substituted 3,7-diazabicyclo[3.3.1]nonanone 1,5-diesters Ulrich Kuhl Antonella Cambareri Christian Sauber Fritz Sörgel Rudolf Hartmann Harald Euler Armin Kirfel and Ulrike Holzgrabe pg 2083; DOI: 10.1039/a904472h |
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NMR and conformational studies of the antimalarial drug arte-ether Anthony R. Butler Laura Conforti Philippa Hulme Louise M. Renton and Trevor J. Rutherford pg 2089; DOI: 10.1039/a904410h |
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Cyclic diynes with tetramethyldisilyl groups in the bridges. Syntheses and properties Gebhard Haberhauer Rolf Gleiter Hermann Irngartinger Thomas Oeser and Frank Rominger pg 2093; DOI: 10.1039/a904409d |
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Modelling nucleophilic substitution at silicon in solution, using hypervalent silicon compounds based on 2-pyridones Alan R. Bassindale Moheswar Borbaruah Simon J. Glynn David J. Parker and Peter G. Taylor pg 2099; DOI: 10.1039/a904402g |
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Contribution of microwaves in organic synthesis: statement of a methodology for the microwave-induced preparation of benzofuran-2(3H)-one and its comparison with classical heating Paulo Goncalo Christophe Roussel Jean Marie Mélot and Joel Vébrel pg 2111; DOI: 10.1039/a904159a |
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Regiochemistry of 1,3-dipolar cycloadditions between azides and substituted ethylenes: a theoretical study Asit K. Chandra Tadafumi Uchimaru and Minh Tho Nguyen pg 2117; DOI: 10.1039/a904151f |
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Synthesis of a new series of indolinic aminoxyls. Reaction of indoles, 2-phenylbenzothiazole, 2-phenylbenzoxazole and 2-phenyl-1,2-dihydro-4H-3,1-benzoxazin-4-one with organolithium reagents Giampaolo Tommasi Paolo Bruni Lucedio Greci Paolo Sgarabotto Lara Righi and Rita Petrucci pg 2123; DOI: 10.1039/a904092g |
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Superacid protonation of dihydrocyclobuta[e]pyrene and its C60–o-quinodimethane adduct. An NMR, ab initio/GIAO and AM1/PM3 study Kenneth K. Laali Sandro Hollenstein Sergio E. Galembeck Yosuke Nakamura and Jun Nishimura pg 2129; DOI: 10.1039/a903692j |
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Kinetics and mechanism of the hydrogen peroxide oxidation of a pentafluorophenyl-substituted iron(III) porphyrin Ian D. Cunningham Timothy N. Danks Keith T. A. O Connell and Peter W. Scott pg 2133; DOI: 10.1039/a903511g |
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Aromatic radical anions as possible intermediates in the nucleophilic aromatic substitution (SNAr): an EPR study Loris Grossi and Samantha Strazzari pg 2141; DOI: 10.1039/a903407b |
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Azomethine dyes revisited. Photobleaching of azomethine dyes under photoreducing conditions Zdzis aw Kucybaa Ilona Pyszka Bronislaw Marciniak Gordon L. Hug and Jerzy Pczkowski pg 2147; DOI: 10.1039/a903363g |
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Kinetics of the reduction of pinacolone by borane–dimethyl sulfide and catecholborane in THF Conrad Eckhardt Holger Jockel and Reinhard Schmidt pg 2155; DOI: 10.1039/a903202i |
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Investigation of solute–solvent interactions in a dithiophosphoroorganic carbohydrate derivative by means of X-ray analysis and solid state NMR Marek J. Potrzebowski Katarzyna Ganicz W odzimierz Ciesielski Aleksandra Skowro ska Micha W. Wieczorek Jarosaw Baszczyk and Wiesaw Majzner pg 2163; DOI: 10.1039/a903119g |
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Reverse micelles as a catalyst for the nucleophilic aromatic substitution between glutathione and 2,4-dinitrochlorobenzene Jong-Yan Liou Ter-Mei Huang and Gu-Gang Chang pg 2171; DOI: 10.1039/a903011e |
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Partitioning of 4-nitrophenol in aerosol-OT reverse micelles Hui-Chih Hung and Gu-Gang Chang pg 2177; DOI: 10.1039/a901868i |
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Reactions of 4-bis(2-chloroethyl)aminophenylacetic acid (phenylacetic acid mustard) in physiological solutions Toni Pettersson-Fernholm Juhani Vilpo Markus Kosonen Kristo Hakala and Jari Hovinen pg 2183; DOI: 10.1039/a903013a |
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NH tautomerization of 2,7,18,23-tetramethyl-3,8,12,13,17,22-hexaethylsapphyrin Krystyna Rachlewicz Lechos aw Latos-Grayski Andreas Gebauer Anne Vivian and Jonathan L. Sessler pg 2189; DOI: 10.1039/a901983i |
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Theoretical quantification of the electrostatic contribution to complexes involving organolithium compounds Catherine Fressigné Jacques Maddaluno and Claude Giessner-Prettre pg 2197; DOI: 10.1039/a901731c |
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The mode of transmission of electrical effects Marvin Charton and Barbara I. Charton pg 2203; DOI: 10.1039/a901495k |
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The effect of high pressure on the formation of volatile products in a model Maillard reaction Mark Bristow and Neil S. Isaacs pg 2213; DOI: 10.1039/a901186b |
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Study of a novel reaction between N,N-diphenylthiourea and p-chloranil through a charge-transfer intermediate Tridibranjan Roy Kakali Datta Mrinal K. Nayek Asok K. Mukherjee Manas Banerjee and Bejoy K. Seal pg 2219; DOI: 10.1039/a810008j |
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The apparent dipole moments and molar volumes of 1,3-benzothiazole and some derivatives, in nonpolar solvents Rosana López Isidro Monzó and Francisco Tomás pg 2225; DOI: 10.1039/a808318e |
Issue 11
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Bob Squires: Reactive organic intermediates. Benzynes, trimethylenemethane and beyond Hilkka Kenttämaa pg 2233; DOI: 10.1039/a908010d |
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Crystal violets shoulder Scott Lovell Brian J. Marquardt and Bart Kahr pg 2241; DOI: 10.1039/a904367e |
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Synthesis, properties and reactivity of the phenylcarbene anion in the gas phase Randal A. Seburg Brian T. Hill and Robert R. Squires pg 2249; DOI: 10.1039/a905870b |
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Matrix isolation and photochemistry of 1- and 2-naphthylchlorocarbene Pawel Rempala and Robert S. Sheridan pg 2257; DOI: 10.1039/a905042f |
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Gas-phase reactions of the dichlorocarbene radical cation Eric D. Nelson Shane E. Tichy and Hilkka I. Kenttämaa pg 2267; DOI: 10.1039/a903936h |
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2,3-Didehydro-1,4-benzoquinone. A quantum thermochemical study Christopher J. Cramer pg 2273; DOI: 10.1039/a903116b |
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5-Fluoro- and 5-methyl-1,3-didehydrobenzene—a matrix isolation study Wolfram Sander and Michael Exner pg 2285; DOI: 10.1039/a905189i |
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Parallel mechanisms for the cycloaromatization of enyne allenes Thomas S. Hughes and Barry K. Carpenter pg 2291; DOI: 10.1039/a904369a |
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Ab initio calculation of zero-field splitting and spin-orbit coupling in ground and excited triplets of m-xylylene Zden  k Havlas and Josef Michl pg 2299; DOI: 10.1039/a906648i |
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An assessment of theoretical procedures for the calculation of reliable radical stabilization energies Christopher J. Parkinson Paul M. Mayer and Leo Radom pg 2305; DOI: 10.1039/a905476f |
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Glycine radicals in the gas phase Franti ek Tureek and F. Howland Carpenter pg 2315; DOI: 10.1039/a903943k |
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Synthesis of silicon heterocycles via gas-phase silylium ion reactions with cyclic acetals and ketals Weiguo A. Tao Feng Wang Jeffry W. Denault and R. Graham Cooks pg 2325; DOI: 10.1039/a904125g |
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Rearrangement of perfluorocyclobutyne Kenneth B. Wiberg Manuel Marquez and Carlos Gonzalez pg 2333; DOI: 10.1039/a904538d |
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Ab Initio calculations of the potential surfaces for rearrangement of methylenecyclopropane and 2,2-difluoromethylenecyclopropane. Why do the geminal fluorines have little effect on lowering the activation energy? Scott B. Lewis David A. Hrovat Stephen J. Getty and Weston Thatcher Borden pg 2339; DOI: 10.1039/a902739d |
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[2+2+2]-Cycloreversion reactions: a theoretical elucidation of thermodynamic and through-bond coupling effects on activation energies Dorota Sawicka Yi Li and K. N. Houk pg 2349; DOI: 10.1039/a904536h |
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A computational study of the electron affinities of substituted Cope rearrangement transition states Paul G. Wenthold pg 2357; DOI: 10.1039/a903223a |
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Host–guest chemistry of rotaxanes and catenanes: application of a polarizable all-atom force field to cyclobis(paraquat-p-phenylene) complexes with disubstituted benzenes and biphenyls George A. Kaminski and William L. Jorgensen pg 2365; DOI: 10.1039/a905160k |
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The thermodynamic stabilities of tricyclic tetraene C12H12 hydrocarbons Holger F. Bettinger Chaeho Pak Yaoming Xie Paul v. R. Schleyer and Henry F. Schaefer III pg 2377; DOI: 10.1039/a905221f |
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Energetics of the naphthalene/azulene monocation isomerization: density functional and coupled cluster calculations Grielof Koster Jan M. L. Martin and Chava Lifshitz pg 2383; DOI: 10.1039/a904129j |
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Benzocyclobutenone enolate: an anion with an antiaromatic resonance structure Katherine M. Broadus and Steven R. Kass pg 2389; DOI: 10.1039/a905868k |
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Flowing afterglow study of the gas phase nucleophilic reactions of some formyl, acetyl and cyclic esters Brian T. Frink and Christopher M. Hadad pg 2397; DOI: 10.1039/a905632g |
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The preferred conformation of -fluoroamides John W. Banks Andrei S. Batsanov Judith A. K. Howard David O Hagan Henry S. Rzepa and Sonsoles Martin-Santamaria pg 2409; DOI: 10.1039/a907452j |
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Preparation of active avidin films by a layer-by-layer deposition of poly(vinyl sulfate) and avidin on a solid surface Jun-ichi Anzai and Nobuyuki Nakamura pg 2413; DOI: 10.1039/a907276d |
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Chiroptical features and luminescence behaviour of macrocyclic tetra(4-quinolyl)-complexes: surprising absence of exciton coupling Linda J. Govenlock Judith A. K. Howard Janet M. Moloney David Parker Robert D. Peacock and Giuliano Siligardi pg 2415; DOI: 10.1039/a905512f |
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Predictions of log P for aromatic compounds Arne Brändström pg 2419; DOI: 10.1039/a907100h |
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Interaction of M3+ lanthanide cations with phosphoryl containing (alkyl)3PO versus (alkyl-O)3PO ligands: steric effects are more important than basicity effects Rachel Schurhammer Vincent Erhart Laurent Troxler and Georges Wipff pg 2423; DOI: 10.1039/a906720e |
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Hydrolysis and intramolecular transesterification of ribonucleoside 3-phosphotriesters: comparison of structural effects in the reactions of asymmetric and symmetric dialkyl esters of 5-O-pivaloyl-3-uridylic acid Markus Kosonen Raimo Seppänen Oula Wichmann and Harri Lönnberg pg 2433; DOI: 10.1039/a906700k |
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Alkylation of anionic DNA bases by styrene 7,8-oxide Mikko Koskinen Elke K. H. Schweda and Kari Hemminki pg 2441; DOI: 10.1039/a906658f |
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Low-temperature EPR study of radical cations of 2,5- and 2,3-dihydrofuran and their transformations in freon matrices Wolfgang Knolle Igor Janovský Sergej Naumov and Reiner Mehnert pg 2447; DOI: 10.1039/a906450h |
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On the electronic structure of some mono- and bisoxazolines Branka Kova Leo Klasinc Zlata Raza and Vitomir  unji pg 2455; DOI: 10.1039/a906031f |
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The Whiffen effect of symmetry-enhanced and symmetry-forbidden hyperconjugation in spin-paired molecules Alwyn G. Davies pg 2461; DOI: 10.1039/a905970i |
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Radical generation from photoinitiator (IC 2959) decomposition and radical addition to acrylate. A laser photolysis Fourier transform electron paramagnetic resonance study Karel Vacek Judith Geimer Dieter Beckert and Reiner Mehnert pg 2469; DOI: 10.1039/a905905i |
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The reactions of 4-nitrobenzofuroxan with amines in DMSO; kinetic and equilibrium studies Michael R. Crampton Jeannette Delaney and Lynsey C. Rabbitt pg 2473; DOI: 10.1039/a905774i |
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Kinetics and mechanism of heterogeneous palladium-catalyzed coupling reactions of chloroaryls in water Sudip Mukhopadhyay Gadi Rothenberg Diana Gitis Harold Wiener and Yoel Sasson pg 2481; DOI: 10.1039/a905625d |
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The synthesis of alkyl aryl nitriles from N-(1-arylalkylidene)cyanomethyl amines: some mechanistic conclusions Alvise Perosa Maurizio Selva and Pietro Tundo pg 2485; DOI: 10.1039/a905563k |
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Buffer-catalyzed interconversion of ribonucleoside 2/3-methylphosphonates and 2/3-alkylphosphates Esa Mäki Mikko Oivanen Päivi Poijärvi and Harri Lönnberg pg 2493; DOI: 10.1039/a905516i |
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Structures and cationic complexes of 18[(2,6)pyridino-6-corand-6] (sexipyridine) Sian T. Howard and Ian A. Fallis pg 2501; DOI: 10.1039/a905461h |
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Oxygen-by-sulfur substitutions in glycine: conformational and vibrational effects Luís A. E. Batista de Carvalho M. Paula M. Marques and José J. C. Teixeira-Dias pg 2507; DOI: 10.1039/a905073f |
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Molecular dynamics simulations on europium nitrate complexes with neutral organophosphorus ligands. What governs the stoichiometry and extractability of the complex? Philippe Beudaert Véronique Lamare Jean-François Dozol Laurent Troxler and Georges Wipff pg 2515; DOI: 10.1039/a905063i |
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Fluorescence characteristics of six 4,7-disubstituted benzofurazan compounds: an experimental and semi-empirical MO study Seiichi Uchiyama Tomofumi Santa and Kazuhiro Imai pg 2525; DOI: 10.1039/a904989d |
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Complexation of antiretroviral nucleosides 2,3-dideoxyinosine, 2,3-dideoxyadenosine and 2,3-dideoxyguanosine with -cyclodextrin. A 1H NMR study Bozenna Golankiewicz G. Perlovich J. Pozna ski J. Sitkowski the late L. Stefaniak J. Zeidler and Wojciech Zielenkiewicz pg 2533; DOI: 10.1039/a904898g |
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Potential photoresponse of membranes containing a lipophilic crowned spirobenzopyran Keiichi Kimura Shinpei Kado Hidefumi Sakamoto Akio Sakai Masaaki Yokoyama and Mutsuo Tanaka pg 2539; DOI: 10.1039/a904897i |
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Thermodynamics and fluorescence emission studies on potential molecular chemosensors for ATP recognition in aqueous solution M. Teresa Albelda M. Alexandra Bernardo Enrique Garcia-España M. Luz Godino-Salido Santiago V. Luis Maria João Melo Fernando Pina and Conxa Soriano pg 2545; DOI: 10.1039/a904894d |
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Alcoholysis of dialkyl tetrazolylphosphonites Erkki J. Nurminen Jorma K. Mattinen and Harri Lönnberg pg 2551; DOI: 10.1039/a904406j |
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Structural and conformational studies of alcohol, diol and methyl ether derivatives of dibenzo-14-crown-4. Implications for ligand and tecton design Uriel Olsher Gil Shoham N. Kent Dalley Jiang Weining Elzbieta Luboch Zong-Yuan Yu John M. Knobeloch Jong Chan Lee Vladimir S. Talanov and Richard A. Bartsch pg 2557; DOI: 10.1039/a904180j |
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Amine binding to water-soluble zinc porphyrins bearing a hydrophobic binding pocket Hiroyasu Imai Hiroki Munakata Atsuko Takahashi Shigeo Nakagawa Yoshinori Ihara and Yoshio Uemori pg 2565; DOI: 10.1039/a903958i |
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Supramolecular receptors from -amino acid-derived lipids Hiroshi Hachisako Yutaka Murata and Hirotaka Ihara pg 2569; DOI: 10.1039/a903956b |
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Nucleophilic activation of hydrogen peroxide. On the formation and the reactivity of 1H-1,2,4-triazoleperoxycarboxylic acid and O-p-nitrophenylmonoperoxycarbonic acid Carsten Bender and Hans-Dieter Brauer pg 2579; DOI: 10.1039/a903852c |
Nucleophilic cleavage of 1-oxo-2,8-disubstituted-2,5,8-triaza-1 5-phosphabicyclo[3.3.0]octanes: a new route to eight- and five-membered heterocyclic systemsZhengjie He Susan Laurens Xavier Y. Mbianda Agnes M. Modro and Tomasz A. Modro pg 2589; DOI: 10.1039/a903835c |
Efficient formation of H-addition radical and secondary alkyl radical in pentylthymines  -irradiated at 77 KNobuaki Ohta Noriyuki Tanaka and Sotaro Ito pg 2597; DOI: 10.1039/a903253c |
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Mechanism of the alkaline hydrolysis of O-ethyl S-(2,4,6-trinitrophenyl) thio- and dithiocarbonates Enrique A. Castro María Cubillos José G. Santos Elba I. Buján M. Virginia Remedi Mariana A. Fernández and Rita H. de Rossi pg 2603; DOI: 10.1039/a903143j |
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Reactivity of 4-R-1,2,4-triazoline-3,5-diones towards nitrone spin-traps: spectral study of the reaction with 5,5-dimethylpyrroline-N-oxide Ana-Maria Alstanei Florence Risi Micheline Carles Jean-Pierre Aycard Louis Pizzala and Elena Volanschi pg 2609; DOI: 10.1039/a902759i |
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Density functional theory (DFT) study on the interaction of ammonium (NH4+) and aromatic nitrogen heterocyclics Wei-Liang Zhu Hua-Liang Jiang Chum Mok Puah Xiao-Jian Tan Kai-Xian Chen Yang Cao and Ru-Yun Ji pg 2615; DOI: 10.1039/a902663k |
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Neutral vs. zwitterionic form of arginine—an ab initio study Zvonimir B. Maksi and Borislav Kovaevi pg 2623; DOI: 10.1039/a902404b |
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A thermodynamic method based on isoequilibrium behavior to determine the values of stereoelectronic parameters of phosphines Anthony L. Fernandez Tsung Ying Lee Clementina Reyes Alfred Prock Warren P. Giering Christopher M. Haar and Steven P. Nolan pg 2631; DOI: 10.1039/a902298h |
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Spectroscopic investigation of the tautomeric equilibria in the guanine derivatives of acyclovir Monika Plass Albin Kristl and Michael H. Abraham pg 2641; DOI: 10.1039/a901866b |
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Formation of two particular structures between -cyclodextrin and bifonazole: -cyclodextrin–bifonazole and (-cyclodextrin)i–bifonazole (where 2<i<3) Nadia Morin Grégorio Crini Cesare Cosentino Joëlle Millet Joël Vebrel and Jean-Charles Rouland pg 2647; DOI: 10.1039/a901254k |
Issue 12
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Addition of phosphoryl radicals to [76]fullerene gives six stable regioisomeric spin-adducts: MNDO/PM3 calculations of spin densities Oleg G. Kalina Boris L. Tumanskii Vasilii V. Bashilov Anatolii L. Chistyakov Ivan V. Stankevich Vaycheslav I. Sokolov T. John S. Dennis and Roger Taylor pg 2655; DOI: 10.1039/a908038d |
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Isolation and characterisation of fluorinated derivatives of [76]- and [78]fullerenes Ala a K. Abdul-Sada Tigran V. Avakyan Olga V. Boltalina Vitaly Yu. Markov Joan M. Street and Roger Taylor pg 2659; DOI: 10.1039/a907606i |
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Photochemical addition of secondary alcohols to maleimides Muhammed A. S. Al-Amoudi and John M. Vernon pg 2667; DOI: 10.1039/a907517h |
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Photodecarboxylation of phenylglyoxylic acid: influence of para-substituents on the triplet state properties Helmut Görner and Hans Jochen Kuhn pg 2671; DOI: 10.1039/a906567i |
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Complexation with diol host compounds. Part 32. Separation of lutidine isomers by 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol Mino R. Caira Luigi R. Nassimbeni Fumio Toda and Dejana Vujovic pg 2681; DOI: 10.1039/a906406k |
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Interaction between alkali metal aromatic ketone radical anions and the chlorides of lithium and magnesium in solution. A case of a carbon–carbon bond strengthening through complex formation Maria Micha-Screttas Georgios A. Heropoulos and Barry R. Steele pg 2685; DOI: 10.1039/a906337d |
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The -sulfur substituent effect in radical reactions. Chlorine-atom abstraction from alkyl 2-chloroethyl sulfides, hydrogen-atom abstraction from dialkyl sulfides and the question of possible 1,4-hydrogen-atom transfer in -alkylthioethyl radicals Brian P. Roberts and Teika M. Smits pg 2691; DOI: 10.1039/a906261k |
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Synthesis and crystal structure of the bromide salt of the inside protonated form of the cage amine [(2.3)3]adamanzane, 1,4,8,12-tetraazatricyclo[6.6.3.24,12]nonadecane and synthesis of the bowl amine [(2.3)2.21]adamanzane, 1,5,9,12-tetraazabicyclo[7.5.2]hexadecane Johan Springborg Bente Nielsen Carl Erik Olsen and Inger Søtofte pg 2701; DOI: 10.1039/a906244k |
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An ab initio and MNDO-d SCF-MO computational study of stereoelectronic control in extrusion reactions of R2I–F iodine(III) intermediates Michael A. Carroll Sonsoles Martín-Santamaría Victor W. Pike Henry S. Rzepa and David A. Widdowson pg 2707; DOI: 10.1039/a906212b |
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The two modes of reaction of hexane catalyzed by trifluoromethanesulfonic acid Dan F rcaiu and Povilas Lukinskas pg 2715; DOI: 10.1039/a906133i |
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'Molecular-imprinting' of AMP utilising the polyion complex formation process as detected by a QCM system Yasumasa Kanekiyo Kazuhiko Inoue Yoshiyuki Ono Masahito Sano Seiji Shinkai and David N. Reinhoudt pg 2719; DOI: 10.1039/a905965b |
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The EPR D-parameter of 1,3-diarylcyclopentane-1,3-diyl triplet diradicals as a probe for steric substituent effects in benzyl-type radicals Waldemar Adam Claus van Barneveld Jan-Stefan Gerke and Frank Gerrit Klärner pg 2723; DOI: 10.1039/a905773k |
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On the toxicity of phenols to fast growing cells. A QSAR model for a radical-based toxicity Cynthia D. Selassie Alan J. Shusterman Sanjay Kapur Rajeshwar P. Verma Litai Zhang and Corwin Hansch pg 2729; DOI: 10.1039/a905764a |
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Rates and mechanisms of the thermal solvolytic decomposition of arenediazonium ions Peter S. J. Canning Katharine McCrudden Howard Maskill and Brian Sexton pg 2735; DOI: 10.1039/a905567c |
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Thermodynamics of the acid dissociation of BOPTA. Determination of equilibrium constants by means of 13C NMR spectroscopy Lucia Alderighi Antonio Bianchi Luca Biondi Luisella Calabi Mario De Miranda Peter Gans Stefano Ghelli Pietro Losi Lino Paleari Antonio Sabatini and Alberto Vacca pg 2741; DOI: 10.1039/a905121j |
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Anionic vs. radical intermediates in the fragmentation reactions of dendritic polysilanes Joseph B. Lambert Xiaoyang Liu Hongwei Wu and Jodi L. Pflug pg 2747; DOI: 10.1039/a905069h |
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Study on host–guest complexation of anions based on tri-podal naphthylthiourea derivatives Hongzhi Xie Shan Yi and Shikang Wu pg 2751; DOI: 10.1039/a904942h |
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Kinetics of protonation of anthracene and phenanthrene radical anions in DMF by a series of substituted phenols. Comparison of Brnsted and Hammett plots Jan S. Jaworski pg 2755; DOI: 10.1039/a904934g |
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A new reaction between E-cinnamaldehyde and phenyllithium. Mechanistic studies Norma S. Nudelman and Hernan G. Schulz pg 2761; DOI: 10.1039/a904635f |
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Azacalixarene: synthesis, conformational analysis, and recognition behavior toward anions Kenichi Niikura and Eric V. Anslyn pg 2769; DOI: 10.1039/a904607k |
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Stable -phosphorylated cyclic aminoxyl radicals in SDS micelles Cécile Rizzi Corinne Mathieu Béatrice Tuccio Robert Lauricella Jean-Claude Bouteiller and Paul Tordo pg 2777; DOI: 10.1039/a904479e |
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Use of chiral lanthanide shift reagents in the elucidation of NMR signals from enantiomeric mixtures of polycyclic compounds Mariane Axt João Alifantes and Valentim Emílio Uberti Costa pg 2783; DOI: 10.1039/a904473f |
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Tautomerism of 4-hydroxyterpyridine in the solid, solution and gas phases: an X-ray, FT-IR and NMR study Elisa Murguly Tyler B. Norsten and Neil Branda pg 2789; DOI: 10.1039/a904323c |
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Steady state and laser flash photolysis of acenaphthenequinone in the presence of olefins Nanci C. de Lucas Monica T. Silva Christian Gege and José C. Netto-Ferreira pg 2795; DOI: 10.1039/a904156g |
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The effect of the p-nitro group on the chemistry of phenylnitrene. A study via intramolecular trapping Angelo Albini Gianfranco Bettinetti and *Giovanna Minoli pg 2803; DOI: 10.1039/a903863i |
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Deuterium isotope effects on 13C chemical shifts of intramolecularly hydrogen-bonded Schiff bases Zbigniew Rozwadowski Eugeniusz Majewski Teresa Dziembowska and Poul Erik Hansen pg 2809; DOI: 10.1039/a903200b |