ࡱ> "$!9 0Cbjbj Cl   3:$m D\\\\R\\B\ `V] <03R \  Table 1. Difference in energies (kcal/mol) for C,C and N,N cycloaddition and subsequent elimination products (B3LYP/6-31G(d)//B3LYP/6-31G(d)). R Cycloaddition Elimination Total 1 + C2H2 ( 2 2 ( 4 + N2 H -40.6 -62.8 -103.4 CN -40.1 -72.5 -112.6 MeO -26.2 -70.8 -96.0 1 + C2H2 ( 3 3 ( 5 + RCN H -6.8 -54.5 -61.3 CN -8.7 -58.9 -67.7 MeO -6.1 -46.6 -52.7 1 + C2H4 ( 6 6 ( 8 + N2 H -22.6 -33.4 -56.0 CN -22.3 -46.2 -68.5 MeO -5.3 -58.9 -64.2 1 + C2H4 ( 7 7 ( 9 + RCN H +4.4 -13.3 -8.9 CN -1.6 -14.7 -16.3 MeO +1.4 -3.4 -2.0 !"#$%&'(*+,-./BCnH tH  jCJCJH*aJnH tH 5CJ\aJnH tH CJaJnH tH H6Me~+BCddC. A!"#$% i4@4 Normal_H mH nHsH tHR`R Heading 1$dh5$7$8$9D@&H$CJPJaJtH <A@< Default Paragraph FontC6Me~+BE@0@0@0@0 @0@0@0@0@0@0@0@0@0@0@0@0@0@0@0 CCC;Heh+.E02E3EVKhD:\elsevier\oletsuppl.docBE@BBbBBC@UnknownGz Times New Roman5Symbol3& z Arial;WingdingsG MS Mincho-3 fg"qhaSFbSFS!20I2Table 1VKhVKhOh+'0d   , 8DLT\Table 1ablVKhKhKh Normal.dotVKh1hMicrosoft Word 9.0@F#@^E&@JS՜.+,0 hp|  BGUI Table 1 Title  #Root Entry Fmr]%1Table WordDocumentSummaryInformation(DocumentSummaryInformation8CompObjjObjectPoolmr]mr]  FMicrosoft Word Document MSWordDocWord.Document.89q