International Reviews in Physical Chemistry (1981-2010)

Volume 29, Issue 4 (2010)

555-588	Recent advances in the visible and UV spectroscopy of metal dication complexes	Hazel Cox; Anthony J. Stace
589-617	On the dynamics of chemical reactions of negative ions	Jochen Mikosch; Matthias Weidemüller; Roland Wester
619-663	Coherent rotational excitation by intense nonresonant laser fields	Yasuhiro Ohshima; Hirokazu Hasegawa
665-691	Linear scaling electronic structure calculations with numerical atomic basis set	Honghui Shang; Hongjun Xiang; Zhenyu Li; Jinlong Yang
ebi	Editorial Board

Volume 29, Issue 3 (2010)

403-452	Calculating the energy spectra of magnetic molecules: application of real- and spin-space symmetries	Roman Schnalle; Jürgen Schnack
453-520	Ultrafast X-ray scattering: structural dynamics from diatomic to protein molecules	Hyotcherl Ihee; Michael Wulff; Jeongho Kim; Shin-ichi Adachi
521-554	Electronic spectra of carbon chains and derivatives	Ramya Nagarajan; John P. Maier

Volume 29, Issue 2 (2010)

231-271	A review of canonical transformation theory	Eric Neuscamman; Takeshi Yanai; Garnet Kin-Lic Chan
273-367	Quantum-chemical calculation of spectroscopic parameters for rotational spectroscopy	Cristina Puzzarini; John F. Stanton; Jürgen Gauss
369-401	Photoionisation and photodissociation studies of nonvolatile organic molecules by synchrotron VUV photoionisation mass spectrometry and theoretical calculations	Yang Pan; Lidong Zhang; Huijun Guo; Liulin Deng; Fei Qi

Volume 29, Issue 1 (2010)

1-64	Polarization propagators: A powerful theoretical tool for a deeper understanding of NMR spectroscopic parameters	Gustavo A. Aucar; Rodolfo H. Romero; Alejandro F. Maldonado
65-133	Investigations of enzyme-catalysed reactions with combined quantum mechanics/molecular mechanics (QM/MM) methods	Kara E. Ranaghan; Adrian J. Mulholland
135-230	Magnetic exchange between metal ions with unquenched orbital angular momenta: basic concepts and relevance to molecular magnetism	Andrei Palii; Boris Tsukerblat; Juan Modesto Clemente-Juan; Eugenio Coronado

Volume 28, Issue 4 (2009)

517-576	Preparation, characterisation and structure of Ti and Al ultrathin oxide films on metals	Qi-Hui Wu; Alessandro Fortunelli; Gaetano Granozzi
577-606	Permutationally invariant potential energy surfaces in high dimensionality	Bastiaan J. Braams; Joel M. Bowman
607-680	Imaging chemical reactions – 3D velocity mapping	A. I. Chichinin; K. -H. Gericke; S. Kauczok; C. Maul
681-709	Molecular astronomy of cool stars and sub-stellar objects	Peter F. Bernath

Volume 28, Issue 3 (2009)

359-406	Charge transfer in metal-atom-containing molecules in the gas phase	Niloufar Shafizadeh; Benoit Soep; Jean Michel Mestdagh; W. H. Breckenridge
407-434	The structure and vibrational spectra of proton hydrates: as a simplest stable ion	M. V. Vener; N. B. Librovich
435-480	The halocarbenes: model systems for understanding the spectroscopy, dynamics and chemistry of carbenes	Scott H. Kable; Scott A. Reid; Trevor J. Sears
481-515	Spectroscopic studies of cold, gas-phase biomolecular ions	Thomas R. Rizzo; Jaime A. Stearns; Oleg V. Boyarkin

Volume 28, Issue 2 (2009)

111-167	Chiral discrimination in the confined environment of biological nanospace: reactions and interactions involving amino acids and peptides	Nilashis Nandi
169-206	Spin-coupled descriptions of organic reactivity	David L. Cooper; Peter B. Karadakov
207-222	Dynamics simulations of atmospherically relevant molecular reactions	R. Benny Gerber; Jiri Sebek
223-265	Structure, spectroscopy and dynamics of halogen molecules interacting with water	Margarita I. Bernal-Uruchurtu; Galina Kerenskaya; Kenneth C. Janda
267-308	Interacting Rydberg and valence states in radicals and molecules: experimental and theoretical studies	Hanna Reisler; Anna I. Krylov
309-358	Beyond single particle mass spectrometry: multidimensional characterisation of individual aerosol particles	Alla Zelenyuk; Dan Imre

Volume 28, Issue 1 (2009)

1-32	Physical and chemical characterization of bioaerosols – Implications for nucleation processes	P. A. Ariya; J. Sun; N. A. Eltouny; E. D. Hudson; C. T. Hayes; G. Kos
33-52	Linear dichroism spectroscopy of gas phase biological molecules embedded in superfluid helium droplets	Wei Kong; Linsen Pei; Jie Zhang
53-109	Vapor-deposited water and nitric acid ices: Physical and chemical properties	Ming-Taun Leu; Leon F. Keyser

Volume 27, Issue 4 (2008)

607-628	Picosecond time-resolved photoelectron spectroscopy as a means of gaining insight into mechanisms of intramolecular vibrational energy redistribution in excited states	Katharine L. Reid
629-664	Microscopic molecular optics theory of surface second harmonic generation and sum-frequency generation spectroscopy based on the discrete dipole lattice model	De-Sheng Zheng; Yuan Wang; An-An Liu; Hong-Fei Wang
665-723	Bohr model and dimensional scaling analysis of atoms and molecules	Anatoly Svidzinsky; Goong Chen; Siu Chin; Moochan Kim; Dongxia Ma; Robert Murawski; Alexei Sergeev; Marlan Scully; Dudley Herschbach

Volume 27, Issue 3 (2008)

361-403	Classical trajectory simulations of post-transition state dynamics	Upakarasamy Lourderaj; Kyoyeon Park; William L. Hase
405-448	Molecular quantum electrodynamics in the Heisenberg picture: A field theoretic viewpoint	A. Salam
449-505	Magnetic circular dichroism for surface and thin film magnetism: Measurement techniques and surface chemical applications	Toshihiko Yokoyama; Takeshi Nakagawa; Yasumasa Takagi
507-539	Time-dependent and time-independent wavepacket approaches to reactive scattering and photodissociation dynamics	Gabriel G. Balint-Kurti
541-568	Computational prediction of organic crystal structures and polymorphism	S. L. Price
569-606	Using the MCTDH wavepacket propagation method to describe multimode non-adiabatic dynamics	G. A. Worth; H. -D. Meyer; H. Köppel; L. S. Cederbaum; I. Burghardt

Volume 27, Issue 2 (2008)

167-200	Applications of single-molecule microscopy to problems in dyed composite materials	Kristin L. Wustholz; Daniel R. B. Sluss; Bart Kahr; Philip J. Reid
201-227	Thermodynamics and kinetics simulations of multi-time-scale processes for complex systems	Yi Qin Gao; Lijiang Yang; Yubo Fan; Qiang Shao
229-271	The application of molecular dynamics to the study of plasma–surface interactions: CF_x with silicon	F. Gou; A. W. Kleyn; M. A. Gleeson
273-316	Interplay between theory and experiment in investigations of molecules embedded in superfluid helium nanodroplets	Krzysztof Szalewicz
317-360	Random and ordered arrays of surface magic clusters	Y. L. Wang; A. A. Saranin; A. V. Zotov; M. Y. Lai; H. H. Chang

Volume 27, Issue 1 (2008)

1-25	Probing the intermediates in the MO + CH₄ ↔ M + CH₃OH reactions by matrix isolation infrared spectroscopy	Guanjun Wang; Mingfei Zhou
27-51	Photoelectron spectra of hydrated electron clusters vs. cluster size: connecting to bulk	James V. Coe; Shaun M. Williams; Kit H. Bowen
53-85	Photoelectron imaging of negative ions	Andrei Sanov; Richard Mabbs
87-138	Mechanism of charge transport in self-organizing organic materials	Ferdinand C. Grozema; Laurens D. A. Siebbeles
139-166	Stable icosahedral hollow cage clusters: stannaspherene ( and plumbaspherene ( $TRPC_A_279161_O_XML_IMAGES\TRPC_A_279161_O_ILM0002.gif$ )	Li-Feng Cui; Lai-Sheng Wang

Volume 26, Issue 4 (2007)

521-584	Dynamical tunnelling in molecules: quantum routes to energy flow	Srihari Keshavamurthy
585-607	State-correlated DC slice imaging of formaldehyde photodissociation: roaming atoms and multichannel branching	Arthur G. Suits; Steven D. Chambreau; Sridhar A. Lahankar
609-645	Electronic structures of graphene edges and nanographene	Toshiaki Enoki; Yousuke Kobayashi; Ken-Ichi Fukui
647-670	Tunnelling time and tunnelling dynamics	Kaushik Maji; C. K. Mondal; S. P. Bhattacharyya
671-735	Quantum control landscapes	Raj Chakrabarti; Herschel Rabitz

Volume 26, Issue 3 (2007)

391-420	The equilibrium OH bond length	J. Demaison; M. Herman; J. Lievin
421-448	Study of organized and biological systems using an ultrafast laser	Subhadip Ghosh; Ujjwal Mandal; Aniruddha Adhikari; Shantanu Dey; Kankan Bhattacharyya
449-485	Calculating intermolecular potentials with SIMPER: the water–nitrogen and water–oxygen interactions, dispersion energy coefficients, and preliminary results for larger molecules	Richard J. Wheatley; Timothy C. Lillestolen
487-520	Potential energy surfaces and predicted infrared spectra for van der Waals complexes: dependence on one intramolecular vibrational coordinate	Daiqian Xie; Hong Ran; Yanzi Zhou

Volume 26, Issue 2 (2007)

249-287	Spectroscopy of free radicals and radical containing entrance-channel complexes in superfluid helium nanodroplets	Jochen Küpper; Jeremy M. Merritt
288	Spectroscopy of free radicals and radical containing entrance-channel complexes in superfluid helium nanodroplets	Jochen Küpper; Jeremy M. Merritt
289-352	Dynamical and stereodynamical studies of alkaline-earth atom–molecule reactions	King-Chuen Lin; A. González Ureña
353-390	Fragmentation of rare-gas clusters ionized by electron impact: new theoretical developments and comparison with experiments	David Bonhommeau; Nadine Halberstadt; Udo Buck

Volume 26, Issue 1 (2007)

1-28	Molecular collisions in ultracold atomic gases	Jeremy M. Hutson; Pavel Soldán
29-91	Statistical quantum studies on insertion atom–diatom reactions	Tomás González-Lezana
93-138	Observation of anisotropic interactions between metastable atoms and target molecules by two-dimensional collisional ionization electron spectroscopy	Naoki Kishimoto; Koichi Ohno
139-192	Spectroscopic studies of the size and composition of single aerosol droplets	Jonathan P. Reid; Helena Meresman; Laura Mitchem; Rachel Symes
193-222	Atom–atom potentials from ab initio calculations	A. J. Stone; A. J. Misquitta
223-248	Vibrational energy in molecules probed with high time and space resolution	Yoonsoo Pang; John C. Deàk; Wentao Huang; Alexei Lagutchev; Andrei Pakoulev; James E. Patterson; Timothy D. Sechler; Zhaohui Wang; Dana D. Dlott

Volume 25, Issue 4 (2006)

A Special Issue in memory of Roger E. Miller 1952–2005

497-526	Molecule formation in ultracold atomic gases	Jeremy M. Hutson; Pavel Soldán
527-552	All-nitrogen chemistry: how far are we from N₆₀?	Peter C. Samartzis; Alec M. Wodtke
553-582	Biomolecule large-amplitude motion and solvation dynamics: modelling and probes from THz to X-rays	David M. Leitner; Martina Havenith; Martin Gruebele
583-612	Oriented xenon hydride molecules in the gas phase	Udo Buck; Michal FáRníK
613-653	Radical–radical reaction dynamics: A combined crossed-beam and theoretical study	Jong-Ho Choi
655-718	Spectroscopy and energetics of the acetylene molecule: dynamical complexity alongside structural simplicity	Brian J. Orr
719-733	Anharmonic vibrational spectra of hydrogen bonded clusters: comparison between higher energy derivative and mean-field grid based methods	Sotiris S. Xantheas

Volume 25, Issue 3 (2006)

A Special Issue in memory of Roger E. Miller 1952–2005

283-311	Importance of long-range interactions in chemical reactions at cold and ultracold temperatures	Philippe F. Weck; N. Balakrishnan
313-351	Collisional quenching of molecular ro-vibrational energy by He buffer loading at ultralow energies	Enrico Bodo; Franco A. Gianturco
353-406	Application of genetic algorithms in automated assignments of high-resolution spectra	W. Leo Meerts; Michael Schmitt
407-425	Computer simulations of structures, energetics and dynamics of myoglobin ··· ligand complexes	Jonas Danielsson; Polina Banushkina; David R. Nutt; Markus Meuwly
427-468	R12 methods in explicitly correlated molecular electronic structure theory	Wim Klopper; Frederick R. Manby; Seiichiro Ten-No; Edward F. Valeev
469-496	Infrared spectroscopy of chemically doped solid parahydrogen	Kazuki Yoshioka; Paul L. Raston; David T. Anderson

Volume 25, Issue 1-2 (2006)

A Special Issue in memory of Roger E. Miller 1952–2005

1-3	Roger E. Miller
5-13	Roger E. Miller: Publications
15-75	Infrared spectroscopy of helium nanodroplets: novel methods for physics and chemistry	M. Y. Choi; G. E. Douberly; T. M. Falconer; W. K. Lewis; C. M. Lindsay; J. M. Merritt; P. L. Stiles; R. E. Miller
77-107	Diffusion Monte Carlo approaches for investigating the structure and vibrational spectra of fluxional systems	Anne B. McCoy
109-163	Crossed molecular beam reactive scattering: from simple triatomic to multichannel polyatomic reactions	Nadia Balucani; Giovanni Capozza; Francesca Leonori; Enrico Segoloni; Piergiorgio Casavecchia
165-199	Experimental benchmarks and phenomenology of interatomic forces: open-shell and electronic anisotropy effects	Fernando Pirani; Glauciete S. Maciel; David Cappelletti; Vincenzo Aquilanti
201-235	The time-dependent quantum wave packet approach to the electronically nonadiabatic processes in chemical reactions	Tian-Shu Chu; Yan Zhang; Ke-Li Han
237-282	Energy landscapes: calculating pathways and rates	David J. Wales

Volume 24, Issue 3-4 (2005)

375-420	Spectroscopy and dynamics of hydride radical van der Waals complexes	Michael C. Heaven
421-455	Progress in computer simulations of liquid crystals	Mark R. Wilson
457-488	Excited state hydrogen atom transfer in ammonia-wire and water-wire clusters	Carine Manca; Christian Tanner; Samuel Leutwyler
489-531	Sugars in the gas phase. Spectroscopy, conformation, hydration, co-operativity and selectivity	John P. Simons; Rebecca A. Jockusch; Pierre ÇarÇabal; Isabel Hünig; Romano T. Kroemer; Neil A. Macleod; Lavina C. Snoek
533-552	Chemical reactions in quantum crystals	Takamasa Momose; Mizuho Fushitani; Hiromichi Hoshina
553-578	Recent advances in understanding the structures of medium-sized protonated water clusters	Huan-Cheng Chang; Chih-Che Wu; Jer-Lai Kuo

Volume 24, Issue 2 (2005)

191-256	Quantitative spectral and orientational analysis in surface sum frequency generation vibrational spectroscopy (SFG-VS)	Hong-Fei Wang; Wei Gan; Rong Lu; Yi Rao; Bao-Hua Wu
301-338	Microwave spectroscopy of ternary and quaternary van der Waals clusters	Yunjie Xu; Jennifer Van Wijngaarden; Wolfgang Jäger
257-299	Non-linear optical spectroscopy as a novel probe for molecular chirality	M. A. Belkin; Y. R. Shen
339-374	Structural, photophysical and lasing properties of pyrromethene dyes	F. López Arbeloa; J. Bañuelos; V. Martínez; T. Arbeloa; I. López Arbeloa

Volume 24, Issue 1 (2005)

1-36	Structures, charge distributions, and dynamical properties of weakly bound complexes of aromatic molecules in their ground and electronically excited states	Cheolhwa Kang; David W. Pratt
37-98	State-to-state dynamics of elementary chemical reactions using Rydberg H-atom translational spectroscopy	Xueming Yang
99-118	Molecules near absolute zero and external field control of atomic and molecular dynamics	Roman V. Krems
119-190	The H+H₂ reactive system. Progress in the study of the dynamics of the simplest reaction	F. J. Aoiz; L. BaÑares; V. J. Herrero

Volume 23, Issue 4 (2004)

483-512	Quantum non-adiabatic dynamics through conical intersections: Spectroscopy to reactive scattering	Susanta Mahapatra
513-539	Electronically non-adiabatic interactions of molecules at metal surfaces: Can we trust the Born–Oppenheimer approximation for surface chemistry?	Alec M. Wodtke; John C. Tully; Daniel J. Auerbach
541-571	Paradigm pre-reactive van der Waals complexes: X–HX and X–H₂ (X = F, Cl, Br)	Jacek Klos; M. M. Szczesniak; G. Chalasinski
573-576	International Reviews in Physical Chemistry

Volume 23, Issue 3 (2004)

341-373	Hyperthermal chemistry in the gas phase and on surfaces: theoretical studies	Diego Troya; George C. Schatz
375-433	Solid water clusters in the size range of tens–thousands of H₂O: a combined computational/spectroscopic outlook	Victoria Buch; Bauerecker Sigurd; J. Paul Devlin; Udo Buck; Jan K. Kazimirski
435-482	The dynamics of chlorine-atom reactions with polyatomic organic molecules	Craig Murray; Andrew J. Orr-Ewing

Volume 23, Issue 2 (2004)

187-218	Photodissociation of simple aromatic molecules in a molecular beam	Chi-Kung Ni; Yuan T. Lee
219-251	The plane wave packet approach to quantum scattering theory	Stuart C. Althorpe
253-287	The observation of quantum bottleneck states	Rex T. Skodje; Xueming Yang
289-340	Electron-driven chemistry of halogenated compounds in condensed phases: Effects of solvent matrices on reaction dynamics and kinetics	C. C. Perry; N. S. Faradzhev; D. H. Fairbrother; T. E. Madey

Volume 23, Issue 1 (2004)

1-78	Applications of molecular Rydberg states in chemical dynamics and spectroscopy	T. P. Softley
79-108	Photofragment spectroscopy of covalently bound transition metal complexes: a window into C–H and C–C bond activation by transition metal ions	Ricardo B. Metz
109-150	Optical properties and applications of dendrimer–metal nanocomposites	T. Goodson; O. Varnavski; Y. Wang
151-185	Intermolecular potentials from supermolecule and monomer calculations	Richard J. Wheatley; Akyl S. Tulegenov; Elena Bichoutskaia

Volume 22, Issue 4 (2003)

593-640	Size-dependent reactivity in open shell metal-ion polar solvent clusters: spectroscopic probes of electronic-vibration coupling, oxidation and ionization	James M. Farrar
641-675	Properties of the phosphorus oxide radical, PO, its cation and anion in their ground electronic states: comparison of theoretical and experimental data	Yahia Moussaoui; Ourida Ouamerali; George R. De Maré

Volume 22, Issue 3 (2003)

437-495	Spectroscopic and theoretical studies of CH⁺₃-Rg_n clusters (Rg=He, Ne, Ar): From weak intermolecular forces to chemical reaction mechanisms	Otto Dopfer
497-532	Fifth-order two-dimensional Raman spectroscopy: A new direct probe of the liquid state	Kevin J. Kubarych; Chris J. Milne; R. J. Dwayne Miller
533-549	MULTIMODE: A code to calculate rovibrational energies of polyatomic molecules	Joel M. Bowman; Stuart Carter; Xinchuan Huang
551-592	Spin-orbit coupling in molecules: Chemistry beyond the adiabatic approximation	Dmitri G. Fedorov; Shiro Koseki; Michael W. Schmidt; Mark S. Gordon

Volume 22, Issue 2 (2003)

221-262	Current understanding of the structure, phase transitions and dynamics of self-assembled monolayers on two- and three-dimensional surfaces	N. Sandhyarani; T. Pradeep
263-283	Natural bond orbital analysis of the intrinsic reaction barriers in nucleophilic displacements	Ikchoon Lee
285-339	Transition state in metal atom reactions	J. -M. Mestdagh; B. Soep; M. -A. Gaveau; J. -P. Visticot
341-376	Laboratory studies of interaction between trace gases and sulphuric acid or sulphate aerosols using flow-tube reactors	Ming-Taun Leu
377-405	Time-resolved photoelectron spectroscopy: Non-adiabatic dynamics in polyatomic molecules	Albert Stolow
407-435	Infrared spectroscopy to probe structure and dynamics in metal ion-molecule complexes	Michael A. Duncan

Volume 22, Issue 1 (2003)

1-72	Infrared chemiluminescence from water-forming reactions: Characterization of dynamics and mechanisms	N. I. Butkovskaya; D. W. Setser
73-128	Production and application of translationally cold molecules	Hendrick L. Bethlem; Gerard Meijer
129-151	Infrared Investigations of Negatively Charged Complexes and Clusters	D. A. Wild; E. J. Bieske
153-202	Ar ··· I 2 : A model system for complex dynamics	Alexei Buchachenko; Nadine Halberstadt; Bruno Lepetit; Octavio Roncero
203-219	Hydrated Complexes: Relevance to Atmospheric Chemistry and Climate	Veronica Vaida; Henrik G. Kjaergaard; Karl J. Feierabend

Volume 21, Issue 4 (2002)

527-655

Recent advances in electronic structure theory: Method of moments of coupled-cluster equations and renormalized coupled-cluster approaches

Piotr Piecuch; Karol Kowalski; Ian S. O. Pimienta; Michael J. Mcguire

Volume 21, Issue 3 (2002)

357-383	Alkali-hydrogen reactions	King-Chuen Lin; Raymond Vetter
385-403	Millimetre wave spectroscopy of high Rydberg states	F. Merkt; A. Osterwalder
405-432	Investigating the phase-dependent photochemical reaction dynamics of chlorine dioxide using resonance Raman spectroscopy	Sophia C. Hayes; Paul M. Wallace; Josh C. Bolinger; Philip J. Reid
433-471	Infrared and molecular beam studies of chemical reactions on solid surfaces	Francisco Zaera
473-498	Probing solution-phase species and chemistry in the gas phase	Xue-Bin Wang; Xin Yang; Lai-Sheng Wang
499-523	Is there an Excited State Proton Transfer in phenol (or 1 -naphthol)-ammonia clusters? Hydrogen Detachment and Transfer to Solvent: A key for non-radiative processes in clusters	O. David; C. Dedonder-Lardeux; C. Jouvet

Volume 21, Issue 2 (2002)

185-255	Coherent multidimensional vibrational spectroscopy	John C. Wright
257-275	Phenomena of g-u symmetry-breakdown in HD	A. De Lange; E. Reinhold; W. Ubachs
277-306	How many molecules make a solution?	Vladimir E. Bondybey; Martin K. Beyer
307-356	The reactivity of ground-state carbon atoms with unsaturated hydrocarbons in combustion flames and in the interstellar medium	Ralf I. Kaiser; Alexander M. Mebel

Volume 21, Issue 1 (2002)

1-36	Understanding polyelectrolyte solutions: Macroion condensation with emphasis on the presence of neutral co-solutes	L. B. Bhuiyan; V. Vlachy; C. W. Outhwaite
37-74	Mechanisms of hydrolysis and nitrosation reactions of alkyl nitrites in various media	Emilia Iglesias; Julio Casado
75-100	Optically-heterodyne-detected optical Kerr effect (OHD-OKE): Applications in condensed phase dynamics	Neil A. Smith; Stephen R. Meech
101-135	Gas phase hydrogen-bonded complexes of aromatic molecules: Photoionization and energetics	Michel Mons; Iliana Dimicoli; François Piuzzi
137-184	Reactions of some [C, N, O]-containing molecules with Si surfaces: Experimental and theoretical studies	Xin Lu; M. C. Lin

Volume 20, Issue 4 (2001)

551-590	Main group metal-ligand interactions in small molecules: New insights from laser spectroscopy	Andrew M. Ellis
591-616	Hybrid approach for the dynamical simulation of proton and hydride transfer in solution and proteins	Sharon Hammes-Schiffer; Salomon R. Billeter
617-643	Bond functions, basis set superposition errors and other practical issues with ab initio calculations of intermolecular potentials	Fu-Ming Tao
645-672	The picture tells the story: Using surface morphology to probe chemical etching reactions	Melissa A. Hines
673-709	Hyperspherical harmonics as Sturmian orbitals in momentum space: A systematic approach to the few-body Coulomb problem	Vincenzo Aquilanti; Simonetta Cavalli; Cecilia Coletti; Daniela Di Domenico; Gaia Grossi
711-749	Controlling bond cleavage and probing intramolecular dynamics via photodissociation of rovibrationally excited molecules	Ilana Bar; Salman Rosenwaks

Volume 20, Issue 3 (2001)

219-282	Multiphoton spectroscopy of NO?Rg (Rg = rare gas) van der Waals systems	Yangsoo Kim; Henning Meyer
283-312	Manipulating electron wave packets	J. R. R. Verlet; H. H. Fielding
313-356	Non-adiabatic effects in chemistry revealed by time-resolved charged-particle imaging	Toshinori Suzuki; Benjamin J. Whitaker
357-386	Surfactant adsorption dynamics	Julian Eastoe; Alex Rankin; Ray Wat; Colin D. Bain
387-466	Growth and characterization of mesoporous silica films	Karen J. Edler; Steve J. Roser
467-548	Heterogeneous uptake and reaction of nitrogen oxides and volatile organic compounds on the surface of atmospheric particles including oxides, carbonates, soot and mineral dust: Implications for the chemical balance of the troposphere	Vicki H. Grassian

Volume 20, Issue 2 (2001)

93-126	Femtosecond pump-probe spectroscopy: A theoretical analysis of transient signals and their relation to nuclear wave-packet motion	Niels E. Henriksen; Volker Engel
127-164	Metal-ligand interactions: Gas-phase transition metal cluster carbonyls	Kent M. Ervin
165-188	Complex formation and decay in ion-molecule reactions: Mode-selective scattering as a dynamical probe	Richard J. Green; Scott L. Anderson
189-217	Excitation functions of elementary chemical reactions: A direct link from crossed-beam dynamics to thermal kinetics ?	Kopin Liu

Volume 20, Issue 1 (2001)

1-32	Laser photoelectron spectroscopy of H₂ and D₂: Competing decay channels in 'simple' molecules	C. A. De Lange
33-58	Fundamental properties of bulk water from cluster ion data	James V. Coe
59-92	Advances in submicron infrared vibrational band chemical imaging	Bogdan Dragnea; Stephen R. Leone

Volume 19, Issue 4 (2000)

501-529	Probing reactive potential energy surfaces by vibrational activation of H₂-OH entrance channel complexes	Martyn D. Wheeler; David T. Anderson; Marsha I. Lester
531-552	The role of pulse sequences in controlling ultrafast intramolecular dynamics with four-wave mixing	Vadim V. Lozovoy; Igor Pastirk; Emily J. Brown; Bruna I. Grimberg; Marcos Dantus
553-564	Hydrogen bonding and quantum dynamics in the solid state	FranÇois Fillaux
565-607	Cavity ring-down spectroscopy: Experimental schemes and applications	Giel Berden; Rudy Peeters; Gerard Meijer

Volume 19, Issue 3 (2000)

327-362	MAGIC: An integrated computational environment for the modelling of heavy-atom chemistry	Andrew Willetts; Laura Gagliardi; Andrew G. Ioannou; Chris-Kriton Skylaris; Steven Spencer; Nicholas C. Handy; Adrian M. Simper
363-407	Molecular rotation in the presence of intramolecular vibrational energy redistribution	John Keske; David A. Mcwhorter; Brooks H. Pate
409-453	Shape and size dependence of radiative, non-radiative and photothermal properties of gold nanocrystals	Stephan Link; Mostafa A. El-Sayed
455-477	Permanent electric dipole moments of metal containing molecules	Timothy C. Steimle
479-500	Excited-state intramolecular H-atom transfer in nearly symmetrical perylene quinones: Hypericin, hypocrellin, and their analogues	J. W. Petrich

Volume 19, Issue 2 (2000)

155-198	Theory and simulation of jump dynamics, diffusion and phase equilibrium in nanopores	Scott M. Auerbach
199-245	Four-atom bimolecular reactions with relevance in environmental chemistry: Theoretical work	A. J. C. Varandas
247-276	Surface photovoltage imaging for the study of local electronic structure at semiconductor surfaces	G. Haase
277-325	High resolution Fourier transform spectroscopy of jet-cooled molecules	Michel Herman; Robert Georges; Martin Hepp; Daniel Hurtmans

Volume 19, Issue 1 (2000)

1-43	Cryochemical chain reactions	I. M. Barkalov; D. P. Kiryukhin
45-60	Kinetic concepts of thermally stimulated reactions in solids: A view from a historical perspective	Sergey Vyazovkin
61-95	Analytic second derivatives in high-order many-body perturbation and coupled-cluster theories: Computational considerations and applications	John F. Stanton; Jurgen Gauss
97-121	Quantum critical phenomena and stability of atomic and molecular ions	Sabre Kais; Pablo Serra
123-153	Sum frequency generation spectroscopy of the aqueous interface: Ionic and soluble molecular solutions	Mary Jane Shultz; Cheryl Schnitzer; Danielle Simonelli; Steve Baldelli

Volume 18, Issue 4 (1999)

459-484	Reactions of oxygen atoms with van der Waals molecules in crossed molecular beams	Anne B. Mccoy; Ron Naaman
485-556	Photophysics of metal atoms in rare-gas complexes, clusters and matrices	C. Crepin-Gilbert; A. Tramer

Volume 18, Issue 3 (1999)

343-385	Heterogeneous chemistry in the troposphere: Experimental approaches and applications to the chemistry of sea salt particles	David O. De Haan; Theo Brauers; Kawon Oum; Jochen Stutz; Trent Nordmeyer; Barbara J. Finlayson-Pitts
387-417	Heterogeneous chemistry in the troposphere: A modern surface chemistry approach to the study of fundamental processes	John C. Hemminger
419-458	Time-resolved infrared absorption measurements of product formation in Cl atom reactions with alkenes and alkynes	Craig A. Taatjes

Volume 18, Issue 2 (1999)

163-233	Adsorption and dissociation of diatomic molecules on transition-metal surfaces	C. A. Taft; T. C. Guimaraes; A. C. Pavao; W. A. Lester JR
235-262	Time correlation function and its unifying role in molecular structure and dynamics	S. Mahapatra; N. Chakrabarti; N. Sathyamurthy
263-299	The kinetics of phase transitions observed by energy-dispersive X-ray diffraction	Ruggero Caminiti; Valerio Rossi Albertini
301-341	Spectroscopic determination of ground and excited state vibrational potential energy surfaces	Jaan Laane

Volume 18, Issue 1 (1999)

1-3	International symposia on free radicals	D. A. Ramsay
5-41	Proton tunnelling in polyatomic molecules: A direct-dynamics instanton approach	Willem Siebrand; Zorka Smedarchina; Marek Z. Zgierski; Antonio Fernandez-RAMOS
43-90	Organic and inorganic optical limiting materials. From fullerenes to nanoparticles	Ya-PING Sun; Jason E. Riggs
91-117	Theoretical study of the nitrous acid conformers: Comparison of theoretical and experimental structures, relative energies, barrier to rotation and vibrational frequencies	George R. De Mare; Yahia Moussaoui
119-162	Vibrational spectroscopy of the hydrogen bond: An ab initio quantum-chemical perspective	Janet E. Del Bene; Meredith J. T. Jordan

Volume 17, Issue 4 (1998)

435-524	Quantitative insights about molecules exhibiting Jahn-Teller and related effects	Timothy A. Barckholtz
525-546	Quantum modelling of reactions in solution: An overview of the dielectric continuum methodology	Thanh N. Truong
547-569	Practical methods for calculating rates of unimolecular reactions	Donald L. Thompson

Volume 17, Issue 3 (1998)

261-306	Vibrational echoes: A new approach to condensed-matter vibrational spectroscopy	K. D. Rector; M. D. Fayer
307-329	Electroabsorption spectroscopy of molecular inorganic compounds	Fredrick W. Vance; Robert D. Williams; Joseph T. Hupp
331-361	Vibrational spectroscopy of small-sized hydrogen-bonded clusters and their ions	Takayuki Ebata; Asuka Fujii; Naohiko Mikami
363-406	The generalized Heitler-London theory for interatomic interaction and surface integral method for exchange energy	K. T. Tang; J. P. Toennies; C. L. Yiu
407-433	Isothermal and non-isothermal kinetics of thermally stimulated reactions of solids	Sergey Vyazovkin; Charles A. Wight

Volume 17, Issue 2 (1998)

91-145	Molecular vibrational energy flow: Beyond the Golden Rule	M. Gruebele; R. Bigwood
147-184	Reactions of mass-selected cluster ions in a thermal bath gas	A. A. Viggiano; Susan T. Arnold; Robert A. Morris
185-225	Relaxation and transport of molecular systems in the gas phase	R. F. Snider
227-260	Photoelectron-photofragment coincidence studies of dissociation dynamics	R. E. Continetti

Volume 17, Issue 1 (1998)

1-34	Spectroscopy and chemical dynamics of weakly bound alkaline-earth metal ion-H and alkaline-earth metal ion-hydrocarbon complexes 2	Paul D. Kleiber; Jing Chen
35-63	Low-temperature rate studies of ions and radicals in supersonic flows	Mark A. Smith
65-90	Structure and chemical modification in oxide glasses	J. W. Zwanziger

Volume 16, Issue 4 (1997)

389-420	Nonlinear optical properties of quasilinear conjugated oligomers, polymers and organic molecules	Bernard Kirtman; Benoit Champagne
421-444	Path integral simulations of atomic and molecular systems	Charusita Chakravarty

Volume 16, Issue 3 (1997)

267-289	Spectroscopy and structure of solvated alkali-metal ions	James M. Lisy
291-359	Dynamical processes in the lowest-excited triplet metal-to-ligand charge transfer states of ruthenium and osmium diimine complexes in crystals	Hans Riesen; Lynne Wallace; Elmars Krausz
361-388	Quantum chemistry of macromolecular shape	Paul G. Mezey

Volume 16, Issue 2 (1997)

113-139	Energetics and dynamics through time-resolved measurements in mass spectrometry: Aromatic hydrocarbons, polycyclic aromatic hydrocarbons and fullerenes	Chava Lifshitz
141-153	Thermodynamics of simple fluids following the Weeks-Chandler-Andersen picture	F. Cuadros; A. Mulero; W. Okrasinski; W. Ahumada
155-176	Electron-impact vibrational excitation of polyatomic molecules	Yukikazu Itikawa
177-199	Coupled-channel calculations of excited-atom collisions	A. P. Hickman
201-213	The recombination of electrons with complex molecular ions	J. B. A. Mitchell; C. Rebrion-Rowe
215-247	Cluster isolated chemical reactions	J. M. Mestdagh; M. A. Gaveau; C. Gee; O. Sublemontier; J. P. Visticot
249-266	Reactions of NO with nitrogen hydrides x	A. M. Mebel; M. C. Lin

Volume 16, Issue 1 (1997)

1-79	Photo induced three body decay	Christof Maul; Karl-Heinz Gericke
81-111	The Cotton-Mouton effect in gases: Experiment and theory	Carlo Rizzo; Antonio Rizzo; David M. Bishop

Volume 15, Issue 2 (1996)

345-374	Exploring molecular vibrational motions with periodic orbits	Stavros C. Farantos
375-427	Dynamics of reactive collisions by optical methods	A. González Ureña; R. Vetter
429-466	One-electron resonances in electron scattering from polyatomic molecules	Robert R. Lucchese; F. A. Gianturco
467-523	The reduced potential curve (RPC) method and its applications	F. Jenč
525-526	Index of authors (with titles of papers)

Volume 15, Issue 1 (1996)

1-12	Michael Henchman, Dynamic Explorer
13-40	Detector arrays in spectroscopy	K. Birkinshaw
41-51	High pressure studies of the organic triplet	I. Y. Chan
53-64	Charge transfer in collision of N²⁺ and He	Y. Sun; H. R. Sadeghpour; K. Kirby; A. Dalgarno; G. P. Lafyatis
65-76	Gateway-type intramolecular collisional transfer in ¹⁵NO(a⁴π, b⁴Σ^- → B²π)	J. Heldt; Ch. Ottinger; A. F. Vilesov; T. Winkler; D. D. Xu
77-92	Back to the hydrated electron—how it is produced and monitored at the dropping mercury electrode in pure water	Michael Heyrovský; Filippo Pucciarelli
93-131	Electron impact ionization of C₆₀ and C₇₀: production and properties of parent and fragment ions studied with a two-sector field mass spectrometer	P. Scheier; B. Dünser; R. Wörgötter; S. Matt; D. Muigg; G. Senn; T. D. Måk
133-151	Formation and decay of negative ion resonances in gaseous and condensed molecules	Oddur Ingólfsson; Fritz Weik; Eugen Illenberger
153-182	The question of negative capacitance and its relation to instabilities and phase transitions at electrified interfaces	Michael B. Partenskii; Vladimir Dorman; Peter C. Jordan
183-204	Reactivity of gas-phase anions with fully halogenated alkanes	Robert A. Morris; A. A. Viggiano; John F. Paulson
205-217	Some properties of microcanonical rate constants	Cornelius E. Klots
219-229	Unusual kinetics of gas-phase proton transfer to Mn(CO)₅^- and Re(CO)₅^-	Amy Stevens Miller; Thomas M. Miller; G. K. Rekha; Melani Menéndez-barreto; Jeffrey F. Friedman; John F. Paulson
231-271	Application of ion chemistry and the SIFT technique to the quantitative analysis of trace gases in air and on breath	David Smith; Patrik Španěl
273-281	A thermodynamic analysis of the first solvation shells of alkali and halide ions in liquid water and in the gas phase	Ernest Grunwald; Colin Steel
283-298	REMPI in a focusing rf-quadrupole: a new source for mass-, energy-, and state-selected ions	S. Mark; Th. Glenewinkel-Meyer; D. Gerlich
299-324	Dynamics of charge transfer and chemical reactions of doubly-charged ions at low collision energies	Zdenek Herman
325-344	Statistical mechanics of pendular molecules	Bretislav Friedrich; Dudley Herschbach

Volume 14, Issue 2 (1995)

169-204	Quantum-chemical investigations of small molecular anions	P. Botschwina; S. Seeger; M. Mladenović; B. Schulz; M. Horn; S. Schmatz; J. Flügge; R. Oswald
205-213	A new procedure for determining Lennard-Jones interaction parameters	F. Cuadros; A. Mulero; J. Cachadiña; W. Ahumada
215-270	Kinetics and dynamics of reactions in liquids	M. Ben-Nun; R. D. Levine
271-314	Orientational relaxation in dipolar systems: How much do we understand the role of correlations?	S. Ravichandran; B. Bagchi
315-326	Dynamics of persistent collision complexes in molecular beam reactive scattering	Roger Grice
327-354	Orientation effects in electron transfer collisions	Philip R. Brooks
355-369	Thermally induced reactions of solids: Isokinetic relationships of non-isothermal systems	Sergey Vyazovkin; Wolfgang Linert
371-420	Experimental measurements of state resolved, rotationally inelastic energy transfer	Aram Schiffman; David W. Chandler
421-443	Interstellar chemistry	D. R. Flower
445	Index of authors (with titles of papers)

Volume 14, Issue 1 (1995)

1-14	Electron donor-acceptor couples	Mary Jo Ondrechen
15-66	Analysis of highly excited vibrational eigenstates	Michael J. Davis
67-84	Multiphoton ionization and chemical dynamics	Joseph J. Belbruno
85-112	Fixed-node quantum Monte Carlo	James B. Anderson
113-126	Electric dipole moments of pendular molecules	Bretislav Friedrich
127-168	Searching for the simplest structural units to describe the three-dimensional structure of proteins	András Perczel; Imre G. Csizmadia

Volume 13, Issue 2 (1994)

163-185	Electron-transfer reactions with buckminsterfullerene, C₆₀, in the gas phase	Diethard K. Bohme
187-229	Coherent and incoherent laser control of photochemical reactions	Moshe Shapiro; Paul Brumer
231-262	Spectroscopy of weakly-bound magnesium ion complexes	C. S. Yeh; J. S. Pilgrim; K. F. Willey; D. L. Robbins; M. A. Duncan
263-289	Variational transition state theory for activated chemical reactions in solution	Bruce C. Garrett; Gregory K. Schenter
291-308	Singlet-to-triplet energy transfer within metal-rare gas van der Waals complexes	W. H. Breckenridge
309-335	Classical path method in inelastic and reactive scattering	Gert. D. Billing
337-357	Kinetic calorimetry in the study of the mechanism of low-temperature chemical reactions	I. M. Barkalov; D. P. Kiryukhin
359-386	Vibrational energy transfer in fluids	David W. Miller; Steven A. Adelman
387	Index of authors (with titles of papers)

Volume 13, Issue 1 (1994)

1-19	Cationic polymerization within clusters composed of unsaturated molecules	M. Todd Coolbaugh; Gopalakrishnan Vaidyanathan; James F. Garvey
21-39	Effect of the surroundings on atomic and molecular properties	David M. Bishop
41-84	Structure and dynamics of quantum clusters	K. Birgitta Whaley
85-121	Novel quasi-aromatic transition metal cluster compounds	Jia-Xi Lu; Zhi-Da Chen
123-161	Molecular multiphoton transitions. Computational spectroscopy for perturbative and non-perturbative regimens	André D. Bandrauk

Volume 12, Issue 2 (1993)

205-239	Rotational line intensities in zero kinetic energy photoelectron spectroscopy (ZEKE-PES)	Frédéric Merkt; Timothy P. Softley
241-303	Density-functional studies of electronic properties of polymers	Michael Springborg
305-338	Infrared emission studies of the vibrational deactivation of benzene derivatives	John R. Barker; Beatriz M. Toselli
339-362	Multireference coupled cluster method for electronic structure of molecules	Nevin Oliphant; Ludwik Adamowicz
363-390	Experimental characterization and computational simulation of chemical reaction dynamics A case study	Pamela M. Aker; James J. Valentini
391	Index of authors (with titles of papers)

Volume 12, Issue 1 (1993)

1-60	The coupled equations problem of the quantum theory of atom-diatom reactive scattering	Felicja Mrugała
61-87	Light scattering in the study of colloidal and macromolecular systems	P. Johnson
89-121	Dielectric studies under pressure on plastic and liquid crystals	Albert Würflinger
123-147	Controlling the quantum numbers in chemical reactions Reactivity and energy transfer of highly vibrationally excited molecules	Xueming Yang; Alec M. Wodtke
149-204	Dynamics and structure of aromatic molecular van der Waals complexes	Michael R. Topp

Volume 11, Issue 2 (1992)

195-242	Spin-forbidden chemistry within the Breit-Pauli approximation	David R. Yarkony
243-261	Measuring aromaticity	Zhongxiang Zhou
263-288	Chemical reactions in the process of matrix devitrification	I. M. Barkalov; D. P. Kiryukhin
289-315	Light-induced kinetic effects in molecular gases	L. J. F. Hermans
317-344	Grid methods for solving the Schrödinger equation and time dependent quantum dynamics of molecular photofragmentation and reactive scattering processes	Gabriel G. Balint-Kurti; Richard N. Dixon; C. Clay Marston
345-375	The effect of tetrahedral substitution of Si by Al on the surface acidity of the oxygen plane of clay minerals	Shmuel Yariv
377	Index of authors (with titles of papers)

Volume 11, Issue 1 (1992)

1-70	Tunnelling of heavy particles in the low temperature chemistry	V. A. Benderskii; V. I. Goldanskii
71-100	Vibronic transitions in rare earth spectroscopy	G. Blasse
101-133	Sticking of molecular hydrogen on simple, noble and transition metal surfaces	A. Winkler; K. D. Rendulic
135-160	Delay effects and differential delay equations in chemical kinetics	Irving R. Epstein
161-194	Transport cross-sections for polyatomic gases	V. Vesovic; W. A. Wakeham

Volume 10, Issue 4 (1991)

349-390	Molecular, multiresonant coherent four-wave mixing spectroscopy	John C. Wright; Roger J. Carlson; Gregory B. Hurst; John K. Steehler; Michael T. Riebe; Bradford B. Price; Dinh C. Nguyen; Steven H. Lee
391-425	A model system for the study of structure and dynamics of molecules on surfaces: CO on NaCl(100)	G. E. Ewing
427	Index of authors (with titles of papers)

Volume 10, Issue 3 (1991)

249-286	Role of angular momentum in statistical unimolecular rate theory	Eric E. Aubanel; David M. Wardlaw; Ling Zhu; William L. Hase
287-317	Quantum beat spectroscopy of molecules	E. Hack; J. R. Huber
319-347	Theory of collisional energy transfer of highly excited molecules	Robert G. Gilbert

Volume 10, Issue 2 (1991)

123-188	What are the basic mechanisms of electronic transitions in molecular dynamic processes?	Hiroki Nakamura
189-206	(H₂O)₂: spectroscopy, structure and dynamics	G. T. Fraser
207-248	Underpotential deposition of metals on foreign metal substrates	S. Szabó

Volume 10, Issue 1 (1991)

1-54	Theory of chemical bonding based on the atom–homogeneous electron gas system	Todd J. Raeker; Andrew E. Depristo
55-106	The chemistry of meteoric metals in the Earth's upper atmosphere	John M. C. Plane
107-121	Classical trajectory calculations on gas-phase reactive collisions	Howard R. Mayne

Volume 9, Issue 4 (1990)

307-328	Location control of electron donors and acceptors in photoinduced charge separation across surfactant interfaces	Larry Kevan
329-348	Reactions of alkyl radicals	Michael J. Pilling; V. Kay Proudler
349-379	Conformational stability of the haloacetyl halides	J. R. Durig; Ai Ying Wang; T. S. Little
381	Index of authors (with titles of papers)

Volume 9, Issue 3 (1990)

227-280	Bent bonds probed by ligand-field analysis	M. J. Duer; N. D. Fenton; M. Gerloch
281-306	Spectroscopic characterization of cations via their electronic transitions	John P. Maier

Volume 9, Issue 2 (1990)

115-148	Periodic trends in the reactions of atomic ions with molecular hydrogen	P. B. Armentrout
149-185	Theoretical study of the bonding in molecular transition-metal cations	Charles W. Bauschlicher Jr; Stephen R. Langhoff
187-225	Crossed-beam investigations of state-resolved collision dynamics of simple radicals	Kopin Liu; R. Glen Macdonald; Albert F. Wagner

Volume 9, Issue 1 (1990)

1-27	Variational and perturbative descriptions of highly vibrationally excited molecules	Edwin L. Sibert III
29-65	Vibrational spectra and point defect activities of icy solids and gas phase clusters	J. Paul Devlin
67-113	Time-resolved infrared–ultraviolet double-resonance spectroscopy of formaldehyde-d₂	Brian J. Orr

Volume 8, Issue 4 (1989)

275-288	The calculation of vibrational energy levels by semiclassical and quantum methodology: A review	Nicholas C. Handy
289-338	Synchrotron X-ray diffraction studies of inorganic materials and heterogeneous catalysts	J. M. Newsam; K. S. Liang
339-383	Molecular quantum electrodynamics in chemical physics	D. L. Andrews; D. P. Craig; T. Thirunamachandran
385-388	Book Reviews
389	Index of authors (with titles of papers)

Volume 8, Issue 2-3 (1989)

93	Editorial
95-124	Organic semiconductors, conductors and superconductors	Hiroo Inokuchi
125-145	Structures and functions of proteins and nucleic acids in protein biosynthesis	Tatsuo Miyazawa; Shigeyuki Yokoyama
147-169	Two-colour dip spectroscopy of jet-cooled molecules	Mitsuo Ito
171-205	Transient molecules, free radicals and molecular ions, investigated by high-resolution spectroscopy	Eizi Hirota
207-234	Structural studies on catalysts and solid surfaces	Haruo Kuroda; Yasuhiro Iwasawa
235-273	Structural studies on transition metal compounds	Yoshihiko Saito

Volume 8, Issue 1 (1989)

1-20	Modification of catalysts	L. Ya. Margolis; A. A. Firsova
21-40	Transition metal dioxygen complexes as intermediates in homogeneous catalytic oxidations	Lászlò I. Simándi
41-64	Pressure-induced molecular rearrangements in the solid state	H. G. Drickamer; K. L. Bray
65-91	The anionic group theory of the non-linear optical effect and its applications in the development of new high-quality NLO crystals in the borate series	Chuangtian Chen; Yicheng Wu; Rukang Li

Volume 7, Issue 4 (1988)

281-315	Ruthenium-copper: a model bimetallic system for studies of surface chemistry and catalysis	J. H. Sinfelt
317-349	Early history of the Raman effect	D. A. Long
351-370	Quantum chemistry in the University of Cambridge	Nicholas C. Handy
371-374	Book Reviews
375	Index of authors (with titles of papers)

Volume 7, Issue 3 (1988)

179-207	Photochemistry at structured surfaces: a classical electromagnetic approach	Daniel A. Jelski; P. T. Leung; Thomas F. George
209-250	The chemistry of materials for artificial Darwinian systems	A. G. Cairns-smith
251-280	Nuclear magnetic resonance techniques for the study of mechanisms of diffusion in solids	A. V. Chadwick

Volume 7, Issue 2 (1988)

95-121	Fluorescence probing in aqueous micellar systems: an overview	Angelos Malliaris
123-171	Solution chemistry in silicon	G. F. Cerofolini; L. Meda
173-175	Book Reviews
177	Erratum

Volume 7, Issue 1 (1988)

1-17	Dynamical coupling and energy transfer in weakly bound molecular complexes	F. A. Gianturco; G. Delgado-Barrio; O. Roncero; P. Villarreal
19-57	Vibrational relaxation in molecular crystals	Salvatore Califano; Vincenzo Schettino
59-80	Spin-coupled valence bond theory	D. L. Cooper; J. Gerratt; M. Raimondi
81-87	New methods of probing the structure of catalysts	C. Williams; S. Yashonath; J. M. Thomas
89-94	Book Reviews

Volume 6, Issue 4 (1987)

271	Massimo Simonetta
273-290	M. Simonetta: List of publications
291-298	Experimental and theoretical studies of organic molecules and crystals	R. Destro; G. Favini; A. Gavezzotti
299-314	Theoretical studies on zeolites	Giuseppe B. Suffritti; Aldo Gamba
315-336	Dynamic EPR and ENDOR spectroscopies of organic radicals	Mario Barzaghi; Aldo Gamba; Cesare Oliva; Mario Branca
337-349	Spectroscopy of molecular crystals and crystallographic implications	Carlo M. Gramaccioli
351-365	Thermodynamic aspects of multicomponent adsorption processes on zeolites	S. Carra; M. Morbidelli
367-384	Hartree-Fock ab initio approaches to the solution of some solid-state problems: state of the art and prospects	Cesare Pisani
385-392	Iterative techniques for molecular CI wavefunctions	G. L. Bendazzoli; S. Evangelisti; P. Palmieri; S. Rettrup
393	Index of authors (with titles of papers)

Volume 6, Issue 3 (1987)

195-226	Molecular dynamic photoelectron spectroscopy using resonant multiphoton ionization for photophysics and photochemistry	Katsumi Kimura
227-250	Computer modelling of silicates	C. R. A. Catlow; A. N. Cormack
251-267	Equilibrium isomeric mixtures: potential energy hypersurfaces as the origin of the overall thermodynamics and kinetics	Zdeněk Slaninaj
269	Book Review	A. G. Maddock

Volume 6, Issue 2 (1987)

93-141	Ligand-field analysis of transition-metal complexes	R. G. Woolley
143-194	Generation and characterization of aerosols	C. N. Davies

Volume 6, Issue 1 (1987)

1-33	Isomerization dynamics in solution	Biman Bagchi
35-51	Recent progress in gas-phase ion chemistry	C. Lifshitz
53-90	Reactions of alkoxy and alkyl peroxy radicals	L. Batt
91-92	Book Reviews

Volume 5, Issue 2-3 (1986)

91-92	David Craig
93-100	Strong anharmonicity effects for vibrations in crystals with impurities: local biphonons and triphonons	V. M. Agranovich; O. A. Dubovsky
101-106	Tricarbon monoxide. Theory and experiment	Ronald D. Brown
107-114	Electrostatic predictions of shapes and properties of Van der Waals molecules	A. D. Buckingham; P. W. Fowler; A. J. Stone
115-120	Point charges and the molecular electrostatic potential	G. G. Hall
121-126	Changes in the phase of the barrier to internal rotation upon electronic excitation	Robert D. Gordon
127-132	Intramolecular vibrational energy redistribution Line broadening	Gad Fischer
133-138	The application of overtone spectroscopy to investigation of CH bond lengths and molecular conformations	Bryan R. Henry; Kathleen M. Gough; Michael G. Sowa
139-146	The role of electrostatics in molecular interactions: prediction of shapes and electronic properties of weakly bound complexes	Peter L. Cummins; Alistair P. L. Rendell; David J. Swanton; George B. Bacskay; Noel S. Hush
147-152	d-Orbitals in molecular wavefunctions of main group molecules	Eric Magnusson
153-160	Hydrogen bond association constants of some nucleoside base pairs formed by an adenosine derivative and anticancer agents	R. Buchet; C. Sandorfy
161-168	HMO theory and cyclophosphazenes	N. L. Paddock
169-173	Marginal dimensionalities for long-range energy transfer	Ilya Rips; Joshua Jortner
175-184	Non-photochemical hole burning—versatility and theoretical status	J. M. Hayes; B. L. Fearey; T. P. Carter; G. J. Small
185-189	Crystals and clusters: quaternions and cosines	S. H. Walmsley
191-196	Diffuse X-ray scattering and the internal modes of molecular crystals	T. R. Welberry; M. J. Scales
197-201	A quantitative theory of infrared spectra	J. F. Ogilvie
203-210	Solitons in resonant energy transfer	Michael A. Collins

Volume 5, Issue 2-3 (1986)

211-217	Variable-frequency electron paramagnetic resonance	Richard Bramley
219-228	Spin-orbit coupling in the tetroxo anions of the d⁰ transition metals and the identification of their lower triplet states	J. H. Van Der Waals
229-237	The equilibrium geometry of F₂⁺ in its ground electronic state. A simple example of the effects of symmetry breaking on an observable molecular property	Robert Murphy; Henry F. Schaefer III; Ross H. Nobes; Leo Radom; Russell M. Pitzer
239-250	On the built-in potential in the photoelectrochemical cell n-CdTe\|selenide in aq. KOH	Lawrence E. Lyons; Trevor L. Young
251-257	Relaxation in disordered systems	Willem Siebrand; Timothy A. Wildman
259-264	Wavefunctions in molecular crystals	Ronald Mason
265-272	Diffraction experiments and the theory of simple transition-metal complexes	B. N. Figgis; P. A. Reynolds
273-281	Through the looking glass: a quantum-electrodynamical view of optical activity	E. A. Power; T. Thirunamachandran
283-291	A charge-excitation approach to through-bond interactions	Pieter E. Schipper
293-300	The calculation of atomic polarizabilities, with emphasis on the first transition series	G. S. Chandler; R. Glass
301-305	Origins of the Pfeiffer effect	R. D. Gillard; P. A. Williams
307-314	Two-photon transitions in positronium	G. Wilse Robinson; A. Quattropani
315	Book Review	L. Galatry
317-318	Index of authors (with titles of papers)

Volume 5, Issue 1 (1986)

1-55	Non-equilibrium behaviour in isothermal liquid chemical systems	C. Vidal; P. Hanusse
57-87	Photoelectron spectroscopy: a strategy for the study of reactions at solid surfaces	C. T. Au; A. F. Carley; M. W. Roberts
89	Book Reviews

Volume 4, Issue 3 (1985)

207-235	Electronic excitation transport in disordered infinite volume systems	M. D. Ediger; M. D. Fayer
237-278	Laser Stark spectroscopy	Geoffrey Duxbury
279-306	Spin correlation effects in radiolysis	B. Brocklehurst
307	Index of authors (with titles of papers)

Volume 4, Issue 2 (1985)

85-124	Ab initio treatment of the Renner-Teller effect and application to various AH₂ and HAB molecules	Miljenko Perić; Sigrid D. Peyerimhoff; Robert J. Buenker
125-164	Energy bands in solids: bonding, energy levels and orbitals	Miklos Kertesz
165-200	Detection methods for atoms and radicals in the gas phase	W. Hack
201-206	Book Reviews

Volume 4, Issue 1 (1985)

1-18	The minimum metallic conductivity	N. F. Mott
19-38	Phase transitions in spin cross-over systems	C. N. R. Rao
39-56	Force field calculations in structural chemistry and molecular crystallography of hydrocarbons	Massimo Simonetta
57-80	Regularities in f-element properties	V. I. Spitsyn; V. G. Vokhmin; G. V. Ionova
81-83	Book Reviews

Volume 3, Issue 3 (1983)

247-262	Threshold Effects and Auto Wave Processes in Low-Temperature Chemical Reactions in Irradiated Solids	I. M. Barkalov; V. I. Goldanskii; D. P. Kiryukhin; A. M. Zanin
263-304	Development of Ideas on the Mechanism of Low-Pressure Synthesis of Hydrocarbons From CO and H₂	Miloš Smutek; Slavoj Černý
305-333	Selectivity of Partial Hydrocarbon Oxidation	O. V. Krylov; L. Ya. Margolis
335-391	Experimental Versus Theoretical Electron Densities. Small Molecules, Large Molecules, and Salts	Martin Breitenstein; Helmut Dannöhl; Hermann Meyer; Armin Schweig; Rolf Seeger; Ute Seeger; Werner Zittlal
393-397	Book Reviews

Volume 3, Issue 2 (1983)

145-176	Photochemistry of the Reducing Atmospheres of Jupiter, Saturn and Titan	Darrell F. Strobel
177-216	Transition Metal Dichalcogenides and Their Intercalates	E. A. Marseglia
217-241	Molecular Handedness and the Origins of Chiral Discrimination	S. F. Mason
243	Book Review	B. F. Gray

Volume 3, Issue 1 (1983)

3-38	One-Photon Spectroscopy of Vibration-Rotational States of Diatomic	J. F. Ogilvie; R. H. Tipping
39-82	Compton Scattering as a Technique for the Study of Solids	B. G. Williams; J. M. Thomas
83-137	What is a Metal?	Ptitljr P. Fcdwards; M. J. Sienko
139-141	Book Reviews

Volume 2, Issue 3 (1982)

171-196	Pressure Tuning of Electronic Energy Levels	H. G. Drickamer
197-235	Recent Applications of Heat Capacity Measurement in Physicochemical Investigations	S. T. Lakshmikumar; E. S. R. Gopal
237-259	The Ordering of Localized Electron Pairs in Mixed-Valence Crystals	L. A. Manakova; S. P. Ionov
261-263	Book Reviews

Volume 2, Issue 2 (1982)

103-126	Recent Advances in High Sensitivity Nuclear Quadrupole Resonance	D. I. Edmonds
127-165	Amorphous and Poorly Crystalline Transition Metal Chalcogenides	R. R. Chianelli
167-168	Book Reviews

Volume 2, Issue 1 (1982)

3-42	Recent Progress in the Study of Transient Species with Vacuum Ultraviolet Photoelectron Spectroscopy	J. M. Dyke; N. Jonathan; A. Morris
43-94	Rotational Fine Structure in Dynamic Photophysical Processes	E. W. Schlag; W. E. Henke; S. H. Lin
95-100	Book Reviews
100	Other Books Received

Volume 1, Issue 3 (1981)

271-307	Molecular Synthesis in Interstellar Clouds: Recent Laboratory Studies of Ionic Reactions	D. Smith; N. G. Adams
309-376	The Spectra of Interstellar Molecules	H. W. Kroto
377	Book Reviews	J. M. Thomas
379-380	Annual Index

Volume 1, Issue 2 (1981)

97-147	Current Aspects of Unimolecular Reactions	M. Quack; J. Trose
149-193	Mixed Valency Chemistry: A Survey of 10 Years Progress	Peter Day
195-224	Magic Angle Spinning	E. R. Andrew
225-252	J-Levels and S-Values in Monatomic Entities and Condensed Matter	Christian K. Jørgensen
253-269	Differences in the Hydrogen and Deuterium Bonds	A. D. Buckingham; Liu Fan-Chen

Volume 1, Issue 1 (1981)

iii	Editorial	A. D. Buckingham; J. M. Thomas; B. A. Thrush
1-30	Photoelectron Spectroscopy and Molecular Structure	W. C. Price
31-44	The Structure of Ion Pairs in Solution	Massimo Simonetta
45-91	Study of Adsorbed Molecules by Electron Energy Loss Spectroscopy	C. N. R. Rao; A. Srinivasan; K. Jagannathan
93-96	Book Reviews