id sid eid entity type eurjchem-119 1 1 microsoft ORG eurjchem-119 1 2 european_journal_of_chemistry_1_2_2010_142_161_119 european journal ORG eurjchem-119 1 3 1 CARDINAL eurjchem-119 1 4 2 CARDINAL eurjchem-119 1 5 2010 DATE eurjchem-119 1 6 142‐161 DATE eurjchem-119 1 7 european journal ORG eurjchem-119 1 8 issn PERSON eurjchem-119 1 9 2153‐2249 CARDINAL eurjchem-119 1 10 2153‐2257 CARDINAL eurjchem-119 1 11 2010 DATE eurjchem-119 1 12 european NORP eurjchem-119 1 13 e. masunova PERSON eurjchem-119 1 14 ivan a. mikhailova PERSON eurjchem-119 1 15 florida GPE eurjchem-119 1 16 orlando GPE eurjchem-119 1 17 32826 DATE eurjchem-119 1 18 florida GPE eurjchem-119 1 19 orlando GPE eurjchem-119 1 20 32816 DATE eurjchem-119 1 21 florida GPE eurjchem-119 1 22 orlando GPE eurjchem-119 1 23 32816 DATE eurjchem-119 1 24 florida GPE eurjchem-119 1 25 florida GPE eurjchem-119 1 26 32922 DATE eurjchem-119 1 27 florida GPE eurjchem-119 1 28 orlando GPE eurjchem-119 1 29 32826 DATE eurjchem-119 2 1 a.e. GPE eurjchem-119 2 2 masunov PERSON eurjchem-119 2 3 11 CARDINAL eurjchem-119 2 4 2010 DATE eurjchem-119 2 5 20 CARDINAL eurjchem-119 2 6 2010 DATE eurjchem-119 2 7 23 CARDINAL eurjchem-119 2 8 2010 DATE eurjchem-119 2 9 30 june 2010 DATE eurjchem-119 3 1 2pa ORDINAL eurjchem-119 3 2 2pa ORDINAL eurjchem-119 4 1 second ORDINAL eurjchem-119 5 1 1 CARDINAL eurjchem-119 7 1 1,2 CARDINAL eurjchem-119 7 2 3 CARDINAL eurjchem-119 10 1 4 CARDINAL eurjchem-119 11 1 1 CARDINAL eurjchem-119 12 1 5 CARDINAL eurjchem-119 12 2 1 CARDINAL eurjchem-119 16 1 3‐dimensional CARDINAL eurjchem-119 17 1 hundreds CARDINAL eurjchem-119 17 2 two CARDINAL eurjchem-119 17 3 one CARDINAL eurjchem-119 17 4 masunov PERSON eurjchem-119 17 5 european NORP eurjchem-119 17 6 1 CARDINAL eurjchem-119 17 7 2 CARDINAL eurjchem-119 17 8 2010 DATE eurjchem-119 17 9 143 CARDINAL eurjchem-119 17 10 al PERSON eurjchem-119 18 1 6 CARDINAL eurjchem-119 18 2 1 CARDINAL eurjchem-119 18 3 one‐photon PERSON eurjchem-119 20 1 two‐photon PERSON eurjchem-119 20 2 2pa ORDINAL eurjchem-119 20 3 1pa ORDINAL eurjchem-119 20 4 two CARDINAL eurjchem-119 20 5 1 CARDINAL eurjchem-119 21 1 2pa ORDINAL eurjchem-119 22 1 3d CARDINAL eurjchem-119 24 1 2pa ORDINAL eurjchem-119 25 1 7 CARDINAL eurjchem-119 25 2 2pa ORDINAL eurjchem-119 25 3 2pa ORDINAL eurjchem-119 25 4 3d CARDINAL eurjchem-119 25 5 8 CARDINAL eurjchem-119 26 1 5 CARDINAL eurjchem-119 26 2 600 CARDINAL eurjchem-119 26 3 2pa ORDINAL eurjchem-119 28 1 two CARDINAL eurjchem-119 28 2 2 CARDINAL eurjchem-119 28 3 3 CARDINAL eurjchem-119 29 1 2pa ORDINAL eurjchem-119 31 1 9 CARDINAL eurjchem-119 31 2 cix PERSON eurjchem-119 32 1 12,13 CARDINAL eurjchem-119 34 1 two CARDINAL eurjchem-119 34 2 14 CARDINAL eurjchem-119 35 1 15 CARDINAL eurjchem-119 36 1 16 CARDINAL eurjchem-119 37 1 17 CARDINAL eurjchem-119 37 2 cix PERSON eurjchem-119 38 1 18 CARDINAL eurjchem-119 39 1 19,20 CARDINAL eurjchem-119 41 1 18,21,22 CARDINAL eurjchem-119 44 1 dft ORG eurjchem-119 45 1 one CARDINAL eurjchem-119 45 2 one CARDINAL eurjchem-119 45 3 one CARDINAL eurjchem-119 45 4 kohn‐sham PERSON eurjchem-119 45 5 kohn‐sham PERSON eurjchem-119 45 6 23 CARDINAL eurjchem-119 45 7 kohn‐sham PERSON eurjchem-119 46 1 24 CARDINAL eurjchem-119 47 1 25 CARDINAL eurjchem-119 47 2 kohn‐sham PERSON eurjchem-119 47 3 two CARDINAL eurjchem-119 47 4 50/50 CARDINAL eurjchem-119 47 5 two CARDINAL eurjchem-119 49 1 26 CARDINAL eurjchem-119 50 1 27 CARDINAL eurjchem-119 50 2 dft PRODUCT eurjchem-119 51 1 ks GPE eurjchem-119 51 2 slater PERSON eurjchem-119 52 1 28 CARDINAL eurjchem-119 54 1 144 CARDINAL eurjchem-119 54 2 masunov PERSON eurjchem-119 54 3 european NORP eurjchem-119 54 4 1 CARDINAL eurjchem-119 54 5 2 CARDINAL eurjchem-119 54 6 2010 DATE eurjchem-119 54 7 142­161 CARDINAL eurjchem-119 56 1 29 CARDINAL eurjchem-119 57 1 30 CARDINAL eurjchem-119 57 2 3 CARDINAL eurjchem-119 57 3 2 CARDINAL eurjchem-119 57 4 2.1 CARDINAL eurjchem-119 58 1 the ks GPE eurjchem-119 59 1 31 CARDINAL eurjchem-119 60 1 first ORDINAL eurjchem-119 61 1 32 CARDINAL eurjchem-119 61 2 slater PERSON eurjchem-119 61 3 ks GPE eurjchem-119 61 4 multireference PERSON eurjchem-119 61 5 ks GPE eurjchem-119 62 1 33 CARDINAL eurjchem-119 63 1 dft ORG eurjchem-119 63 2 ks GPE eurjchem-119 65 1 ks GPE eurjchem-119 65 2 one CARDINAL eurjchem-119 66 1 34 CARDINAL eurjchem-119 68 1 35 CARDINAL eurjchem-119 68 2 32 CARDINAL eurjchem-119 69 1 dft ORG eurjchem-119 70 1 one CARDINAL eurjchem-119 70 2 36‐39 CARDINAL eurjchem-119 71 1 dft ORG eurjchem-119 73 1 40 CARDINAL eurjchem-119 75 1 41 CARDINAL eurjchem-119 76 1 second ORDINAL eurjchem-119 77 1 dft ORG eurjchem-119 78 1 28,42 CARDINAL eurjchem-119 78 2 lr‐ dft PERSON eurjchem-119 79 1 non‐hermitian NORP eurjchem-119 79 2  PERSON eurjchem-119 79 3  NORP eurjchem-119 79 4  ORG eurjchem-119 79 5  NORP eurjchem-119 79 6 1 CARDINAL eurjchem-119 80 1 ks GPE eurjchem-119 80 2 σ CARDINAL eurjchem-119 80 3 σ ORG eurjchem-119 80 4 bjaiiaijabbjai ka PERSON eurjchem-119 80 5  jbaibjai kb PERSON eurjchem-119 80 6 2 CARDINAL eurjchem-119 80 7 second ORDINAL eurjchem-119 81 1 3 CARDINAL eurjchem-119 81 2 two CARDINAL eurjchem-119 82 1  ORG eurjchem-119 83 1 43 CARDINAL eurjchem-119 84 1 lr‐ dft PERSON eurjchem-119 84 2 two CARDINAL eurjchem-119 85 1 tda PERSON eurjchem-119 86 1 1 CARDINAL eurjchem-119 88 1 tda PERSON eurjchem-119 89 1 46 CARDINAL eurjchem-119 89 2 47 CARDINAL eurjchem-119 89 3 tda PERSON eurjchem-119 90 1 48 CARDINAL eurjchem-119 92 1 49 CARDINAL eurjchem-119 95 1 48,50,51 CARDINAL eurjchem-119 97 1 29,52,53 CARDINAL eurjchem-119 98 1 one CARDINAL eurjchem-119 98 2 dft ORG eurjchem-119 98 3 54 CARDINAL eurjchem-119 98 4 55 CARDINAL eurjchem-119 99 1 56 CARDINAL eurjchem-119 99 2 homo2 PERSON eurjchem-119 99 3 1 CARDINAL eurjchem-119 100 1 masunov PERSON eurjchem-119 100 2 european NORP eurjchem-119 100 3 1 CARDINAL eurjchem-119 100 4 2 CARDINAL eurjchem-119 100 5 2010 DATE eurjchem-119 100 6 145 CARDINAL eurjchem-119 100 7 2ag CARDINAL eurjchem-119 101 1 57 CARDINAL eurjchem-119 103 1 58 CARDINAL eurjchem-119 104 1 59‐61 CARDINAL eurjchem-119 105 1 4 CARDINAL eurjchem-119 105 2 one CARDINAL eurjchem-119 106 1 62,63 CARDINAL eurjchem-119 107 1 first ORDINAL eurjchem-119 107 2 second ORDINAL eurjchem-119 108 1 64 CARDINAL eurjchem-119 108 2 poles NORP eurjchem-119 109 1 dipole  PERSON eurjchem-119 109 2 second ORDINAL eurjchem-119 109 3 two CARDINAL eurjchem-119 109 4 63 CARDINAL eurjchem-119 109 5 1 0,0 CARDINAL eurjchem-119 109 6 cbaa cb       ORG eurjchem-119 109 7 5 CARDINAL eurjchem-119 111 1 63 CARDINAL eurjchem-119 111 2 65 CARDINAL eurjchem-119 111 3 1 CARDINAL eurjchem-119 112 1 luo PERSON eurjchem-119 112 2 hexatriene PERSON eurjchem-119 112 3 qr‐hf PRODUCT eurjchem-119 112 4 66 CARDINAL eurjchem-119 113 1 three CARDINAL eurjchem-119 113 2 four CARDINAL eurjchem-119 113 3 1bu ORDINAL eurjchem-119 113 4 1.5–1.7 CARDINAL eurjchem-119 113 5 1bu ORDINAL eurjchem-119 114 1 dft ORG eurjchem-119 114 2 67 CARDINAL eurjchem-119 115 1 68 CARDINAL eurjchem-119 115 2 dft ORG eurjchem-119 115 3 69‐71 CARDINAL eurjchem-119 115 4 dalton PERSON eurjchem-119 116 1 72 CARDINAL eurjchem-119 117 1 73,74 CARDINAL eurjchem-119 120 1 75 CARDINAL eurjchem-119 121 1 first ORDINAL eurjchem-119 121 2 1 CARDINAL eurjchem-119 121 3 second ORDINAL eurjchem-119 122 1 ξβξα CARDINAL eurjchem-119 124 1 6 CARDINAL eurjchem-119 124 2 second ORDINAL eurjchem-119 124 3  ORG eurjchem-119 124 4  ORG eurjchem-119 125 1  GPE eurjchem-119 125 2  GPE eurjchem-119 126 1  CARDINAL eurjchem-119 126 2 0 CARDINAL eurjchem-119 126 3 0 DATE eurjchem-119 126 4 2 CARDINAL eurjchem-119 126 5 7 CARDINAL eurjchem-119 126 6 first ORDINAL eurjchem-119 126 7 second ORDINAL eurjchem-119 126 8 ks GPE eurjchem-119 126 9 2 CARDINAL eurjchem-119 126 10 zero CARDINAL eurjchem-119 126 11 one CARDINAL eurjchem-119 126 12 0 CARDINAL eurjchem-119 126 13 two CARDINAL eurjchem-119 126 14   GPE eurjchem-119 126 15  GPE eurjchem-119 127 1  GPE eurjchem-119 127 2  GPE eurjchem-119 128 1  NORP eurjchem-119 128 2 2 CARDINAL eurjchem-119 128 3 10 CARDINAL eurjchem-119 128 4 second ORDINAL eurjchem-119 128 5 first ORDINAL eurjchem-119 129 1 third ORDINAL eurjchem-119 130 1 75 CARDINAL eurjchem-119 130 2 3 1 CARDINAL eurjchem-119 130 3 0 CARDINAL eurjchem-119 130 4 0 CARDINAL eurjchem-119 130 5  CARDINAL eurjchem-119 130 6 11 CARDINAL eurjchem-119 131 1 0 CARDINAL eurjchem-119 131 2 0 CARDINAL eurjchem-119 131 3       PRODUCT eurjchem-119 131 4  gaa v PERSON eurjchem-119 131 5 ga                       ORG eurjchem-119 131 6 12 CARDINAL eurjchem-119 131 7 2 1 2 CARDINAL eurjchem-119 131 8 2 1 CARDINAL eurjchem-119 132 1 0 CARDINAL eurjchem-119 132 2 0 ††)2 CARDINAL eurjchem-119 136 1  GPE eurjchem-119 136 2  GPE eurjchem-119 137 1  NORP eurjchem-119 137 2  DATE eurjchem-119 137 3 13 CARDINAL eurjchem-119 137 4 ziegler PERSON eurjchem-119 138 1 76,77 CARDINAL eurjchem-119 139 1 tda PERSON eurjchem-119 140 1 state‐to‐state ORG eurjchem-119 140 2 first ORDINAL eurjchem-119 140 3 10 CARDINAL eurjchem-119 141 1 100 CARDINAL eurjchem-119 142 1 146 CARDINAL eurjchem-119 142 2 masunov PERSON eurjchem-119 142 3 european NORP eurjchem-119 142 4 1 CARDINAL eurjchem-119 142 5 2 CARDINAL eurjchem-119 142 6 2010 DATE eurjchem-119 143 1 142­161 CARDINAL eurjchem-119 143 2 state‐to‐state ORG eurjchem-119 143 3  DATE eurjchem-119 143 4 2 CARDINAL eurjchem-119 143 5 2 CARDINAL eurjchem-119 143 6  PERSON eurjchem-119 143 7  NORP eurjchem-119 144 1 14 CARDINAL eurjchem-119 145 1 2((,0 CARDINAL eurjchem-119 145 2 15 CARDINAL eurjchem-119 146 1 100 CARDINAL eurjchem-119 146 2 second ORDINAL eurjchem-119 146 3 second ORDINAL eurjchem-119 146 4 qr‐dft GPE eurjchem-119 147 1 second ORDINAL eurjchem-119 148 1 2.2‐2.3 CARDINAL eurjchem-119 148 2 2.4 CARDINAL eurjchem-119 149 1 2.2 CARDINAL eurjchem-119 152 1 79 CARDINAL eurjchem-119 155 1 2ag ORDINAL eurjchem-119 155 2 one CARDINAL eurjchem-119 155 3 1bu ORDINAL eurjchem-119 155 4 all‐trans NORP eurjchem-119 155 5 1bu ORDINAL eurjchem-119 155 6 2ag ORDINAL eurjchem-119 156 1 51 CARDINAL eurjchem-119 157 1 47 CARDINAL eurjchem-119 157 2 one CARDINAL eurjchem-119 158 1 80,81 CARDINAL eurjchem-119 158 2 2pa ORDINAL eurjchem-119 160 1 sates GPE eurjchem-119 160 2 sos ORG eurjchem-119 160 3 85 CARDINAL eurjchem-119 161 1 first ORDINAL eurjchem-119 161 2 second ORDINAL eurjchem-119 161 3 sos ORG eurjchem-119 163 1 66,91 CARDINAL eurjchem-119 165 1 92 CARDINAL eurjchem-119 166 1 second ORDINAL eurjchem-119 167 1 linear ORG eurjchem-119 167 2 π‐ NORP eurjchem-119 167 3 slater PERSON eurjchem-119 167 4 1ag ORDINAL eurjchem-119 169 1 93 CARDINAL eurjchem-119 169 2 σ‐π PERSON eurjchem-119 171 1 first ORDINAL eurjchem-119 171 2 1 CARDINAL eurjchem-119 171 3 2 CARDINAL eurjchem-119 171 4 1 CARDINAL eurjchem-119 171 5 2 CARDINAL eurjchem-119 171 6 1 CARDINAL eurjchem-119 174 1 94 CARDINAL eurjchem-119 174 2 95 CARDINAL eurjchem-119 175 1 96 CARDINAL eurjchem-119 176 1 two CARDINAL eurjchem-119 176 2 two CARDINAL eurjchem-119 176 3 zero CARDINAL eurjchem-119 176 4 1ag ORDINAL eurjchem-119 179 1 2ag ORDINAL eurjchem-119 179 2 1bu CARDINAL eurjchem-119 180 1 slater PERSON eurjchem-119 181 1 slater PERSON eurjchem-119 182 1 26,97 CARDINAL eurjchem-119 183 1 ci PERSON eurjchem-119 183 2 one CARDINAL eurjchem-119 184 1 masunov PERSON eurjchem-119 184 2 european NORP eurjchem-119 184 3 1 CARDINAL eurjchem-119 184 4 2 CARDINAL eurjchem-119 184 5 2010 DATE eurjchem-119 184 6 147 CARDINAL eurjchem-119 187 1 98 CARDINAL eurjchem-119 188 1 ci PERSON eurjchem-119 188 2 one CARDINAL eurjchem-119 188 3 the  cis(d ORG eurjchem-119 188 4 99 CARDINAL eurjchem-119 188 5 mp2 ORG eurjchem-119 188 6 second ORDINAL eurjchem-119 190 1 100 CARDINAL eurjchem-119 191 1 ccsd ORG eurjchem-119 191 2 cc2 ORG eurjchem-119 192 1 101 CARDINAL eurjchem-119 193 1 sac‐ci PERSON eurjchem-119 194 1 102,103 CARDINAL eurjchem-119 196 1 104 CARDINAL eurjchem-119 196 2 general‐r GPE eurjchem-119 197 1 103 CARDINAL eurjchem-119 198 1 general‐r GPE eurjchem-119 198 2 2ag CARDINAL eurjchem-119 199 1 1 CARDINAL eurjchem-119 199 2 hexatriene PERSON eurjchem-119 200 1 92 CARDINAL eurjchem-119 201 1 2 CARDINAL eurjchem-119 201 2 2 CARDINAL eurjchem-119 202 1 sac‐ ci PERSON eurjchem-119 203 1 two CARDINAL eurjchem-119 204 1 one CARDINAL eurjchem-119 204 2 1bu ORDINAL eurjchem-119 205 1 one CARDINAL eurjchem-119 205 2 sac‐ ci PERSON eurjchem-119 205 3 7‐14% PERCENT eurjchem-119 207 1 2bu CARDINAL eurjchem-119 207 2 0.5ev CARDINAL eurjchem-119 207 3 3bu ORDINAL eurjchem-119 207 4 the  cis(d ORG eurjchem-119 207 5 2bu CARDINAL eurjchem-119 207 6 1.5 CARDINAL eurjchem-119 207 7 3bu ORDINAL eurjchem-119 207 8 2bu CARDINAL eurjchem-119 207 9 1 CARDINAL eurjchem-119 207 10 3bu CARDINAL eurjchem-119 209 1 sac‐ci PERSON eurjchem-119 209 2 2ag CARDINAL eurjchem-119 209 3 20% PERCENT eurjchem-119 211 1 40‐80% PERCENT eurjchem-119 212 1 100% PERCENT eurjchem-119 215 1 20% PERCENT eurjchem-119 215 2 40% PERCENT eurjchem-119 217 1 4ag ORDINAL eurjchem-119 218 1 1 CARDINAL eurjchem-119 218 2 4ag CARDINAL eurjchem-119 218 3 12.6 CARDINAL eurjchem-119 218 4 6.8 CARDINAL eurjchem-119 218 5 1bu ORDINAL eurjchem-119 218 6 3bu ORDINAL eurjchem-119 218 7 1bu ORDINAL eurjchem-119 218 8 3ag ORDINAL eurjchem-119 218 9 1‐2')‐(2‐1' DATE eurjchem-119 219 1 15.3 CARDINAL eurjchem-119 219 2 6.8 CARDINAL eurjchem-119 219 3 9.4 CARDINAL eurjchem-119 219 4 sac‐ci PERSON eurjchem-119 220 1 sac‐ci PERSON eurjchem-119 220 2 sac‐ci PERSON eurjchem-119 221 1 sac‐ci PERSON eurjchem-119 222 1 second ORDINAL eurjchem-119 222 2 eqs PERSON eurjchem-119 224 1 dft ORG eurjchem-119 224 2 sac‐ci PERSON eurjchem-119 225 1 1bu ORDINAL eurjchem-119 226 1 2 CARDINAL eurjchem-119 226 2 1bu ORDINAL eurjchem-119 226 3 qr‐dft GPE eurjchem-119 226 4 sac‐ci PERSON eurjchem-119 226 5 sac‐ci PERSON eurjchem-119 227 1 sac‐ci PERSON eurjchem-119 227 2 148 CARDINAL eurjchem-119 227 3 masunov PERSON eurjchem-119 227 4 european NORP eurjchem-119 227 5 1 CARDINAL eurjchem-119 227 6 2 CARDINAL eurjchem-119 227 7 2010 DATE eurjchem-119 227 8 1 CARDINAL eurjchem-119 227 9 a.u. GPE eurjchem-119 227 10 1bu ORDINAL eurjchem-119 230 1 105 CARDINAL eurjchem-119 230 2 1bu ORDINAL eurjchem-119 230 3 2bu CARDINAL eurjchem-119 230 4 3bu ORDINAL eurjchem-119 230 5 3ag ORDINAL eurjchem-119 230 6 4ag ORDINAL eurjchem-119 230 7 5ag CARDINAL eurjchem-119 230 8 ev PERSON eurjchem-119 230 9 6.66 CARDINAL eurjchem-119 230 10 12.15 CARDINAL eurjchem-119 230 11 1‐2')‐(2‐1' DATE eurjchem-119 230 12 a.u. GPE eurjchem-119 230 13 2.661 CARDINAL eurjchem-119 230 14 ev PERSON eurjchem-119 230 15 6.77 CARDINAL eurjchem-119 230 16 11.33 CARDINAL eurjchem-119 230 17 ‐ 7.95 9.28 ‐ MONEY eurjchem-119 230 18 ev PERSON eurjchem-119 230 19 6.86 CARDINAL eurjchem-119 230 20 11.72 CARDINAL eurjchem-119 230 21 15.31 CARDINAL eurjchem-119 230 22 9.41 12.65 CARDINAL eurjchem-119 230 23 16.71 CARDINAL eurjchem-119 231 1 2‐2')+(11‐1’2 CARDINAL eurjchem-119 231 2 1‐2')‐(2‐1' DATE eurjchem-119 231 3 12‐1’2’)+(22‐1’1’)+ CARDINAL eurjchem-119 232 1 0 CARDINAL eurjchem-119 232 2 2 CARDINAL eurjchem-119 232 3 78 13 CARDINAL eurjchem-119 232 4 53 CARDINAL eurjchem-119 232 5 83 CARDINAL eurjchem-119 232 6 a.u. GPE eurjchem-119 232 7 2.291 CARDINAL eurjchem-119 232 8 0.874 CARDINAL eurjchem-119 232 9 0.17 CARDINAL eurjchem-119 232 10 0.306 2.698 CARDINAL eurjchem-119 232 11 0.557 CARDINAL eurjchem-119 232 12 ev PERSON eurjchem-119 232 13 5.94 CARDINAL eurjchem-119 232 14 10.33 CARDINAL eurjchem-119 232 15 14.52 CARDINAL eurjchem-119 232 16 8.57 11.89 CARDINAL eurjchem-119 232 17 16.28 CARDINAL eurjchem-119 232 18 1‐1')((1‐2’)‐(2‐1 CARDINAL eurjchem-119 232 19 1‐2')‐(2‐1' DATE eurjchem-119 232 20 a.u. GPE eurjchem-119 233 1 2.131 CARDINAL eurjchem-119 233 2 0.706 CARDINAL eurjchem-119 233 3 1.485 CARDINAL eurjchem-119 233 4 2.131 MONEY eurjchem-119 233 5 0.706 CARDINAL eurjchem-119 233 6 a.u. GPE eurjchem-119 233 7 1.293 0.199 ‐ MONEY eurjchem-119 233 8 ev PERSON eurjchem-119 233 9 6.06 CARDINAL eurjchem-119 233 10 11–13 CARDINAL eurjchem-119 233 11 one CARDINAL eurjchem-119 233 12 second ORDINAL eurjchem-119 234 1 sac‐ci PERSON eurjchem-119 235 1 2 CARDINAL eurjchem-119 236 1 1bu ORDINAL eurjchem-119 236 2 sac‐ci PERSON eurjchem-119 237 1 first ORDINAL eurjchem-119 237 2 two CARDINAL eurjchem-119 238 1 10ev CARDINAL eurjchem-119 238 2 1bu ORDINAL eurjchem-119 239 1 2.3 CARDINAL eurjchem-119 240 1 2 CARDINAL eurjchem-119 240 2 2 CARDINAL eurjchem-119 244 1 79 CARDINAL eurjchem-119 245 1 106 CARDINAL eurjchem-119 246 1 107 CARDINAL eurjchem-119 247 1 108 CARDINAL eurjchem-119 247 2 sos ORG eurjchem-119 247 3 85 CARDINAL eurjchem-119 249 1 47 CARDINAL eurjchem-119 252 1 five CARDINAL eurjchem-119 252 2 four CARDINAL eurjchem-119 255 1 109 CARDINAL eurjchem-119 256 1 110 CARDINAL eurjchem-119 257 1 aces2 ORG eurjchem-119 258 1 111 CARDINAL eurjchem-119 258 2 dalton PERSON eurjchem-119 259 1 72 CARDINAL eurjchem-119 259 2 2003 DATE eurjchem-119 260 1 112 CARDINAL eurjchem-119 260 2 two CARDINAL eurjchem-119 261 1 1 CARDINAL eurjchem-119 264 1 113 CARDINAL eurjchem-119 265 1 five CARDINAL eurjchem-119 265 2 the  c2v  symmetry ORG eurjchem-119 265 3 2 CARDINAL eurjchem-119 265 4 masunov PERSON eurjchem-119 265 5 european NORP eurjchem-119 265 6 1 CARDINAL eurjchem-119 265 7 2 CARDINAL eurjchem-119 265 8 2010 DATE eurjchem-119 265 9 149 CARDINAL eurjchem-119 265 10 the  c2v  point  group ORG eurjchem-119 265 11 eom‐ccsd GPE eurjchem-119 266 1 ccsd PERSON eurjchem-119 267 1 1 CARDINAL eurjchem-119 267 2 2 CARDINAL eurjchem-119 267 3 3 CARDINAL eurjchem-119 267 4 4 CARDINAL eurjchem-119 269 1 1(3 CARDINAL eurjchem-119 269 2 1’(2 CARDINAL eurjchem-119 269 3 one CARDINAL eurjchem-119 269 4 1(3)‐1'(2 CARDINAL eurjchem-119 270 1 the  eom  ORG eurjchem-119 270 2 4% PERCENT eurjchem-119 272 1 four CARDINAL eurjchem-119 272 2 the  eom  ORG eurjchem-119 273 1 qr‐dft GPE eurjchem-119 273 2 qr‐dft NORP eurjchem-119 274 1 second ORDINAL eurjchem-119 274 2 qr‐dft NORP eurjchem-119 274 3 dalton PERSON eurjchem-119 274 4 second ORDINAL eurjchem-119 274 5 two CARDINAL eurjchem-119 274 6 0.1ev CARDINAL eurjchem-119 276 1 two CARDINAL eurjchem-119 276 2 2 CARDINAL eurjchem-119 276 3 one CARDINAL eurjchem-119 276 4 dft ORG eurjchem-119 276 5 unrelaxed PERSON eurjchem-119 276 6 three CARDINAL eurjchem-119 276 7 qr‐dft GPE eurjchem-119 276 8 unrelaxed PERSON eurjchem-119 278 1 2.4 CARDINAL eurjchem-119 278 2 two CARDINAL eurjchem-119 278 3 2pa ORDINAL eurjchem-119 278 4 two CARDINAL eurjchem-119 279 1 2pa ORDINAL eurjchem-119 279 2 three CARDINAL eurjchem-119 280 1 114 CARDINAL eurjchem-119 281 1 115 CARDINAL eurjchem-119 282 1 115,116 CARDINAL eurjchem-119 283 1 116 CARDINAL eurjchem-119 283 2 2pa ORDINAL eurjchem-119 283 3 114 CARDINAL eurjchem-119 283 4 2pa ORDINAL eurjchem-119 284 1 2pa ORDINAL eurjchem-119 285 1 90 CARDINAL eurjchem-119 285 2 2pa ORDINAL eurjchem-119 285 3 2pa CARDINAL eurjchem-119 286 1 2pa ORDINAL eurjchem-119 286 2 2pa ORDINAL eurjchem-119 286 3 2pa ORDINAL eurjchem-119 288 1 two CARDINAL eurjchem-119 289 1 117 CARDINAL eurjchem-119 289 2 d‐π‐π‐a PERSON eurjchem-119 289 3 2pa ORDINAL eurjchem-119 290 1 2pa ORDINAL eurjchem-119 291 1 124‐135 CARDINAL eurjchem-119 291 2 2pa ORDINAL eurjchem-119 291 3 two CARDINAL eurjchem-119 291 4 first ORDINAL eurjchem-119 294 1 2pa ORDINAL eurjchem-119 295 1 2pa ORDINAL eurjchem-119 296 1 quantum ORG eurjchem-119 296 2 2pa ORDINAL eurjchem-119 296 3 118 CARDINAL eurjchem-119 296 4 bredas PERSON eurjchem-119 296 5 al PERSON eurjchem-119 296 6 2pa ORDINAL eurjchem-119 297 1 2pa ORDINAL eurjchem-119 297 2 bredas PERSON eurjchem-119 297 3 al PERSON eurjchem-119 297 4 2pa ORDINAL eurjchem-119 297 5 2pa ORDINAL eurjchem-119 298 1 118 CARDINAL eurjchem-119 298 2 150 CARDINAL eurjchem-119 298 3 masunov PERSON eurjchem-119 298 4 european NORP eurjchem-119 298 5 1 CARDINAL eurjchem-119 298 6 2 CARDINAL eurjchem-119 298 7 2010 DATE eurjchem-119 298 8 2 CARDINAL eurjchem-119 298 9 four CARDINAL eurjchem-119 299 1 eom‐ccsd  GPE eurjchem-119 300 1 2.66 CARDINAL eurjchem-119 300 2 2.86 CARDINAL eurjchem-119 300 3 a.u. GPE eurjchem-119 300 4 ccsd PERSON eurjchem-119 300 5 eom­ccsd  ∆e PERSON eurjchem-119 300 6 a.u. GPE eurjchem-119 300 7 1 CARDINAL eurjchem-119 300 8 4.92 CARDINAL eurjchem-119 300 9 1(3)‐1'(3))+(2(4)2(4)‐1'(3)1'(3))‐(1(3)1(3)‐1'(3)1'(3))‐(1(3)1(4)‐1'(4)1'(3 CARDINAL eurjchem-119 300 10 0.9 CARDINAL eurjchem-119 300 11 5.65 6.99 CARDINAL eurjchem-119 300 12 0.3 CARDINAL eurjchem-119 300 13 4.64 7.48 CARDINAL eurjchem-119 300 14 1(4)‐1'(4))‐(1(3)1(3)‐1'(4)1'(4))+(3(3)1(3)‐1'(4)1'(4 CARDINAL eurjchem-119 300 15 1.0 CARDINAL eurjchem-119 300 16 3.22 8.08 CARDINAL eurjchem-119 300 17 2(3)‐1'(3))+(1(3)‐2'(3))‐(1(3)1(3)‐1'(3)1'(3 CARDINAL eurjchem-119 300 18 2.3 CARDINAL eurjchem-119 300 19 4.60 8.42 CARDINAL eurjchem-119 300 20 2(4)‐1'(4))+(1(3)2(4)‐1'(3)1'(4 CARDINAL eurjchem-119 300 21 1.5 CARDINAL eurjchem-119 300 22 2 CARDINAL eurjchem-119 300 23 4.74 CARDINAL eurjchem-119 300 24 0.3 CARDINAL eurjchem-119 300 25 3.25 6.31 CARDINAL eurjchem-119 300 26 0.3 CARDINAL eurjchem-119 300 27 4.03 6.81 CARDINAL eurjchem-119 300 28 1.6 CARDINAL eurjchem-119 300 29 2.49 8.33 CARDINAL eurjchem-119 300 30 0.3 CARDINAL eurjchem-119 300 31 5.04 8.83 CARDINAL eurjchem-119 300 32 1.4 CARDINAL eurjchem-119 300 33 2.88 CARDINAL eurjchem-119 300 34 3 CARDINAL eurjchem-119 300 35 4.76 CARDINAL eurjchem-119 300 36 0.9 CARDINAL eurjchem-119 300 37 2.03 6.58 CARDINAL eurjchem-119 300 38 1(3)‐1'(1))+(2(3)‐1'(1 CARDINAL eurjchem-119 300 39 0.0 CARDINAL eurjchem-119 300 40 7.69 CARDINAL eurjchem-119 300 41 1(3)‐2'(1 ORDINAL eurjchem-119 301 1 0.0 CARDINAL eurjchem-119 301 2 3.02 8.04 CARDINAL eurjchem-119 301 3 1(2)‐1'(4))+(1(2)1(3)‐1'(4)1'(3 CARDINAL eurjchem-119 301 4 1.6 CARDINAL eurjchem-119 301 5 8.56 CARDINAL eurjchem-119 301 6 0.0 CARDINAL eurjchem-119 301 7 2.86 CARDINAL eurjchem-119 301 8 4 CARDINAL eurjchem-119 301 9 4.26 CARDINAL eurjchem-119 301 10 1(2)‐1'(3))+(1(2)‐2'(3))‐(1(1)2(4)‐1'(3)1'(3 CARDINAL eurjchem-119 301 11 0.5 CARDINAL eurjchem-119 301 12 1.92 7.61 CARDINAL eurjchem-119 301 13 1(3)‐1'(2 CARDINAL eurjchem-119 301 14 0.0 CARDINAL eurjchem-119 301 15 0.63 8.18 CARDINAL eurjchem-119 301 16 1(1)‐1'(4))+(1(1)1(3)‐1'(4)1'(3 CARDINAL eurjchem-119 301 17 0.6 CARDINAL eurjchem-119 301 18 8.33 CARDINAL eurjchem-119 301 19 2(2)‐1'(3 CARDINAL eurjchem-119 301 20 0.0 CARDINAL eurjchem-119 301 21 3.52 8.64 CARDINAL eurjchem-119 301 22 1(4)‐2'(1 CARDINAL eurjchem-119 301 23 0.0 CARDINAL eurjchem-119 301 24 1.19 CARDINAL eurjchem-119 301 25 unre­laxed PERSON eurjchem-119 301 26 1 CARDINAL eurjchem-119 301 27 1 CARDINAL eurjchem-119 301 28 4.09 CARDINAL eurjchem-119 301 29 1(3)‐1'(3 CARDINAL eurjchem-119 301 30 4.93 7.61 CARDINAL eurjchem-119 301 31 5.56 CARDINAL eurjchem-119 301 32 4.93 2 CARDINAL eurjchem-119 301 33 6.21 CARDINAL eurjchem-119 301 34 1(3)‐2'(3))‐(1(4)‐1'(4 DATE eurjchem-119 301 35 3.59 4.42 CARDINAL eurjchem-119 301 36 3.66 CARDINAL eurjchem-119 301 37 3.60 5 DATE eurjchem-119 301 38 6.98 CARDINAL eurjchem-119 301 39 3.05 CARDINAL eurjchem-119 301 40 3.33 CARDINAL eurjchem-119 301 41 3.05 CARDINAL eurjchem-119 301 42 6.62 CARDINAL eurjchem-119 301 43 2(3)‐1'(3 CARDINAL eurjchem-119 301 44 5.06 5.96 CARDINAL eurjchem-119 301 45 4.34 CARDINAL eurjchem-119 301 46 4.61 3 CARDINAL eurjchem-119 301 47 6.52 CARDINAL eurjchem-119 301 48 2(4)‐1'(4 CARDINAL eurjchem-119 301 49 0.24 CARDINAL eurjchem-119 301 50 0.14 CARDINAL eurjchem-119 301 51 2 CARDINAL eurjchem-119 301 52 1 CARDINAL eurjchem-119 301 53 4.59 CARDINAL eurjchem-119 301 54 3.72 4.68 CARDINAL eurjchem-119 301 55 3.82 CARDINAL eurjchem-119 301 56 3.72 2 CARDINAL eurjchem-119 301 57 5.12 CARDINAL eurjchem-119 301 58 1(4)‐1'(3))‐(1(3)‐1'(4 CARDINAL eurjchem-119 302 1 4.74 6.41 CARDINAL eurjchem-119 302 2 4.69 CARDINAL eurjchem-119 302 3 4.74 3 CARDINAL eurjchem-119 302 4 6.27 CARDINAL eurjchem-119 302 5 2(4)‐1'(3))+(2(4)‐2'(3 CARDINAL eurjchem-119 302 6 1.03 0.97 CARDINAL eurjchem-119 302 7 0.79 CARDINAL eurjchem-119 302 8 1.03 CARDINAL eurjchem-119 302 9 7.23 CARDINAL eurjchem-119 302 10 1(4)‐2'(3))‐(2(3)‐1'(4 CARDINAL eurjchem-119 302 11 3.69 4.58 CARDINAL eurjchem-119 302 12 3.74 CARDINAL eurjchem-119 302 13 3.69 6 CARDINAL eurjchem-119 302 14 8.00 CARDINAL eurjchem-119 302 15 2.12 1.68 CARDINAL eurjchem-119 302 16 2.18 CARDINAL eurjchem-119 302 17 2.39 CARDINAL eurjchem-119 302 18 3 CARDINAL eurjchem-119 302 19 1 CARDINAL eurjchem-119 302 20 4.44 CARDINAL eurjchem-119 302 21 2.11 1.50 CARDINAL eurjchem-119 302 22 2.16 CARDINAL eurjchem-119 302 23 2.11 2 CARDINAL eurjchem-119 302 24 5.96 CARDINAL eurjchem-119 302 25 1(3)‐1'(1 CARDINAL eurjchem-119 302 26 0.83 CARDINAL eurjchem-119 302 27 ‐0.40 4 DATE eurjchem-119 302 28 6.92 CARDINAL eurjchem-119 302 29 1(3)‐2'(1 ORDINAL eurjchem-119 302 30 2.77 3.26 CARDINAL eurjchem-119 302 31 3.06 CARDINAL eurjchem-119 302 32 2.77 3 CARDINAL eurjchem-119 302 33 5.99 CARDINAL eurjchem-119 302 34 6 CARDINAL eurjchem-119 302 35 7.91 CARDINAL eurjchem-119 302 36 2.83 2.86 CARDINAL eurjchem-119 302 37 2.86 CARDINAL eurjchem-119 302 38 2.83 CARDINAL eurjchem-119 302 39 4 CARDINAL eurjchem-119 302 40 1 CARDINAL eurjchem-119 302 41 3.96 CARDINAL eurjchem-119 302 42 1.99 1.27 CARDINAL eurjchem-119 302 43 2.04 CARDINAL eurjchem-119 302 44 1.99 3 CARDINAL eurjchem-119 302 45 6.89 CARDINAL eurjchem-119 302 46 1(3)‐1'(2 CARDINAL eurjchem-119 302 47 0.55 0.19 CARDINAL eurjchem-119 302 48 1.52 CARDINAL eurjchem-119 302 49 0.53 2 CARDINAL eurjchem-119 302 50 6.35 CARDINAL eurjchem-119 302 51 5 CARDINAL eurjchem-119 302 52 7.03 CARDINAL eurjchem-119 302 53 2(2)‐1'(3 CARDINAL eurjchem-119 302 54 4.43 5.83 CARDINAL eurjchem-119 302 55 4.35 CARDINAL eurjchem-119 302 56 4.45 7 CARDINAL eurjchem-119 302 57 8.09 CARDINAL eurjchem-119 302 58 1(4)‐2'(1 CARDINAL eurjchem-119 302 59 1.87 1.61 CARDINAL eurjchem-119 302 60 1.88 CARDINAL eurjchem-119 302 61 qr‐dft GPE eurjchem-119 302 62 0.60 2.08 CARDINAL eurjchem-119 302 63 0.70 CARDINAL eurjchem-119 302 64 eom‐ccsd GPE eurjchem-119 302 65 0.98 1.58 CARDINAL eurjchem-119 302 66 0.96 CARDINAL eurjchem-119 302 67 0.90 CARDINAL eurjchem-119 302 68 al PERSON eurjchem-119 303 1 117 CARDINAL eurjchem-119 303 2 four CARDINAL eurjchem-119 304 1 kim PERSON eurjchem-119 305 1 123 CARDINAL eurjchem-119 305 2 122 CARDINAL eurjchem-119 305 3 2pa ORDINAL eurjchem-119 306 1 1pa ORDINAL eurjchem-119 306 2 2pa ORDINAL eurjchem-119 306 3 117 CARDINAL eurjchem-119 307 1 fabian NORP eurjchem-119 307 2 ndo PERSON eurjchem-119 308 1 136 CARDINAL eurjchem-119 308 2 al PERSON eurjchem-119 308 3 2pa ORDINAL eurjchem-119 308 4 2pa ORDINAL eurjchem-119 309 1 three CARDINAL eurjchem-119 309 2 2pa ORDINAL eurjchem-119 310 1 137 CARDINAL eurjchem-119 310 2 2pa ORDINAL eurjchem-119 311 1 2pa ORDINAL eurjchem-119 312 1 138 CARDINAL eurjchem-119 313 1 3 CARDINAL eurjchem-119 314 1 1a CARDINAL eurjchem-119 314 2 2,7‐bisbenzothiazolyl‐9,9‐ CARDINAL eurjchem-119 314 3 1b CARDINAL eurjchem-119 314 4 phenylbenzothiazole PERSON eurjchem-119 314 5 1c CARDINAL eurjchem-119 314 6 1d CARDINAL eurjchem-119 314 7 2‐yl)diphenylamine PRODUCT eurjchem-119 314 8 1e CARDINAL eurjchem-119 315 1 belfield PERSON eurjchem-119 316 1 two CARDINAL eurjchem-119 316 2 two CARDINAL eurjchem-119 316 3 3‐d CARDINAL eurjchem-119 316 4 119,137,139 CARDINAL eurjchem-119 316 5 1a CARDINAL eurjchem-119 316 6 2pa ORDINAL eurjchem-119 316 7 cross‐ masunov PERSON eurjchem-119 316 8 european NORP eurjchem-119 316 9 1 CARDINAL eurjchem-119 316 10 2 CARDINAL eurjchem-119 316 11 2010 DATE eurjchem-119 316 12 151 CARDINAL eurjchem-119 317 1 140 CARDINAL eurjchem-119 317 2 1a CARDINAL eurjchem-119 319 1 141 CARDINAL eurjchem-119 319 2 1d CARDINAL eurjchem-119 319 3 2pa ORDINAL eurjchem-119 320 1 142 CARDINAL eurjchem-119 320 2 1d CARDINAL eurjchem-119 320 3 2pa ORDINAL eurjchem-119 321 1 143 CARDINAL eurjchem-119 322 1 3 CARDINAL eurjchem-119 322 2 1c CARDINAL eurjchem-119 322 3 1d CARDINAL eurjchem-119 322 4 al PERSON eurjchem-119 324 1 137 CARDINAL eurjchem-119 324 2 2pa ORDINAL eurjchem-119 325 1 second ORDINAL eurjchem-119 325 2 al PERSON eurjchem-119 325 3 1d CARDINAL eurjchem-119 326 1 two‐state CARDINAL eurjchem-119 326 2 2pa ORDINAL eurjchem-119 326 3 sos ORG eurjchem-119 326 4 2pa ORDINAL eurjchem-119 327 1 144,145 CARDINAL eurjchem-119 327 2 sos ORG eurjchem-119 327 3 state‐to‐state ORG eurjchem-119 327 4 2.1 CARDINAL eurjchem-119 327 5 2pa ORDINAL eurjchem-119 328 1 2pa ORDINAL eurjchem-119 328 2 sos ORG eurjchem-119 329 1 linear ORG eurjchem-119 329 2 one CARDINAL eurjchem-119 329 3 1pa ORDINAL eurjchem-119 330 1 2pa ORDINAL eurjchem-119 330 2 linear ORG eurjchem-119 330 3 2pa ORDINAL eurjchem-119 330 4 146 CARDINAL eurjchem-119 330 5 2 CARDINAL eurjchem-119 330 6 mmmmg PERSON eurjchem-119 331 1 16 CARDINAL eurjchem-119 331 2 2pa ORDINAL eurjchem-119 332 1  GPE eurjchem-119 334 1  GPE eurjchem-119 334 2  GPE eurjchem-119 335 1  NORP eurjchem-119 342 1  DATE eurjchem-119 342 2 2 1 CARDINAL eurjchem-119 342 3 17 CARDINAL eurjchem-119 342 4 lorentzian NORP eurjchem-119 342 5 18 CARDINAL eurjchem-119 342 6 2pa ORDINAL eurjchem-119 342 7 one CARDINAL eurjchem-119 343 1 one CARDINAL eurjchem-119 347 1 16 CARDINAL eurjchem-119 347 2 2pa ORDINAL eurjchem-119 347 3 qr‐dft GPE eurjchem-119 348 1 2pa ORDINAL eurjchem-119 348 2 2pa ORDINAL eurjchem-119 349 1 1a CARDINAL eurjchem-119 349 2 1b CARDINAL eurjchem-119 349 3 1c CARDINAL eurjchem-119 349 4 1d CARDINAL eurjchem-119 349 5 1e CARDINAL eurjchem-119 349 6 3 CARDINAL eurjchem-119 351 1 147 CARDINAL eurjchem-119 351 2 three CARDINAL eurjchem-119 353 1 24 CARDINAL eurjchem-119 354 1 second ORDINAL eurjchem-119 354 2 third ORDINAL eurjchem-119 356 1 113 CARDINAL eurjchem-119 357 1 148 CARDINAL eurjchem-119 358 1 16 CARDINAL eurjchem-119 359 1 74 CARDINAL eurjchem-119 359 2 0.1 CARDINAL eurjchem-119 359 3 152 CARDINAL eurjchem-119 359 4 masunov PERSON eurjchem-119 359 5 european NORP eurjchem-119 359 6 1 CARDINAL eurjchem-119 359 7 2 CARDINAL eurjchem-119 359 8 2010 DATE eurjchem-119 360 1 1pa ORDINAL eurjchem-119 360 2 2pa ORDINAL eurjchem-119 360 3 149 CARDINAL eurjchem-119 361 1 xcrysden PERSON eurjchem-119 361 2 150 CARDINAL eurjchem-119 362 1 2pa ORDINAL eurjchem-119 362 2 3 CARDINAL eurjchem-119 362 3 138 CARDINAL eurjchem-119 362 4 3 CARDINAL eurjchem-119 362 5 1a CARDINAL eurjchem-119 363 1 two CARDINAL eurjchem-119 363 2 1pa ORDINAL eurjchem-119 363 3 2pa ORDINAL eurjchem-119 363 4 sos PERSON eurjchem-119 363 5 4 CARDINAL eurjchem-119 364 1 sos ORG eurjchem-119 364 2 2pa ORDINAL eurjchem-119 364 3 4 CARDINAL eurjchem-119 365 1 2pa ORDINAL eurjchem-119 366 1 140‐142,151 CARDINAL eurjchem-119 367 1 0.1 CARDINAL eurjchem-119 367 2 1e CARDINAL eurjchem-119 367 3 0.44 CARDINAL eurjchem-119 367 4 55 CARDINAL eurjchem-119 369 1 3 CARDINAL eurjchem-119 369 2 2pa ORDINAL eurjchem-119 371 1 138 CARDINAL eurjchem-119 371 2 five CARDINAL eurjchem-119 371 3 two CARDINAL eurjchem-119 372 1 third ORDINAL eurjchem-119 372 2 second ORDINAL eurjchem-119 372 3 2pa ORDINAL eurjchem-119 373 1 sos ORG eurjchem-119 373 2 2pa ORDINAL eurjchem-119 373 3 2pa ORDINAL eurjchem-119 374 1 sos ORG eurjchem-119 374 2 sos ORG eurjchem-119 374 3 sos PERSON eurjchem-119 376 1 3 CARDINAL eurjchem-119 376 2 3.1 CARDINAL eurjchem-119 378 1 ks GPE eurjchem-119 378 2 dft ORG eurjchem-119 379 1 ks GPE eurjchem-119 380 1 153 CARDINAL eurjchem-119 380 2 ks GPE eurjchem-119 380 3 dft ORG eurjchem-119 380 4 154 CARDINAL eurjchem-119 381 1 155 CARDINAL eurjchem-119 381 2 ks GPE eurjchem-119 382 1 156 CARDINAL eurjchem-119 385 1 ks GPE eurjchem-119 386 1 157 CARDINAL eurjchem-119 387 1 158 CARDINAL eurjchem-119 388 1 one CARDINAL eurjchem-119 388 2 pes PERSON eurjchem-119 389 1 ks GPE eurjchem-119 389 2 20  kcal QUANTITY eurjchem-119 389 3 first ORDINAL eurjchem-119 390 1 dft PRODUCT eurjchem-119 391 1 ks GPE eurjchem-119 394 1 47 CARDINAL eurjchem-119 394 2 burke PERSON eurjchem-119 394 3 al PERSON eurjchem-119 395 1 159 CARDINAL eurjchem-119 395 2 73‐75 CARDINAL eurjchem-119 395 3 second ORDINAL eurjchem-119 396 1 2 CARDINAL eurjchem-119 396 2 state‐to‐state ORG eurjchem-119 399 1 30 CARDINAL eurjchem-119 399 2 masunov PERSON eurjchem-119 399 3 european NORP eurjchem-119 399 4 1 CARDINAL eurjchem-119 399 5 2 CARDINAL eurjchem-119 399 6 2010 DATE eurjchem-119 399 7 153 CARDINAL eurjchem-119 399 8 1a CARDINAL eurjchem-119 399 9 1d CARDINAL eurjchem-119 399 10 4 CARDINAL eurjchem-119 399 11 1pa CARDINAL eurjchem-119 399 12 2 CARDINAL eurjchem-119 399 13 2pa ORDINAL eurjchem-119 399 14 3 CARDINAL eurjchem-119 399 15 140 CARDINAL eurjchem-119 399 16 1a CARDINAL eurjchem-119 399 17 137 CARDINAL eurjchem-119 399 18 1d CARDINAL eurjchem-119 400 1 3 CARDINAL eurjchem-119 400 2 2pa ORDINAL eurjchem-119 400 3 gm ORG eurjchem-119 401 1 140 CARDINAL eurjchem-119 402 1 137 CARDINAL eurjchem-119 403 1 152 CARDINAL eurjchem-119 403 2 3.59 CARDINAL eurjchem-119 403 3 3.41 CARDINAL eurjchem-119 403 4 364 CARDINAL eurjchem-119 403 5 3.06 CARDINAL eurjchem-119 403 6 3.08 CARDINAL eurjchem-119 403 7 403 ‐ QUANTITY eurjchem-119 403 8 4.28 CARDINAL eurjchem-119 403 9 4.27 CARDINAL eurjchem-119 403 10 290 CARDINAL eurjchem-119 403 11 3.46 CARDINAL eurjchem-119 403 12 324 CARDINAL eurjchem-119 403 13 437 CARDINAL eurjchem-119 403 14 711 CARDINAL eurjchem-119 403 15 3.08 CARDINAL eurjchem-119 403 16 3.21 CARDINAL eurjchem-119 403 17 387 CARDINAL eurjchem-119 403 18 3.99 CARDINAL eurjchem-119 403 19 4 CARDINAL eurjchem-119 403 20 310 65 DATE eurjchem-119 403 21 4.10 CARDINAL eurjchem-119 403 22 4.45 CARDINAL eurjchem-119 403 23 486 CARDINAL eurjchem-119 403 24 4.12 CARDINAL eurjchem-119 403 25 3.38 CARDINAL eurjchem-119 403 26 3.1 CARDINAL eurjchem-119 403 27 400 CARDINAL eurjchem-119 403 28 2.83 CARDINAL eurjchem-119 403 29 3.24 CARDINAL eurjchem-119 403 30 383 CARDINAL eurjchem-119 403 31 3.88 CARDINAL eurjchem-119 403 32 4 CARDINAL eurjchem-119 403 33 310 154 CARDINAL eurjchem-119 403 34 162 CARDINAL eurjchem-119 403 35 126 CARDINAL eurjchem-119 403 36 89 CARDINAL eurjchem-119 403 37 3.56 CARDINAL eurjchem-119 403 38 4.03 CARDINAL eurjchem-119 403 39 306 CARDINAL eurjchem-119 403 40 4.01 CARDINAL eurjchem-119 403 41 4.25 CARDINAL eurjchem-119 403 42 4.6 ‐ QUANTITY eurjchem-119 403 43 masunov PERSON eurjchem-119 403 44 european NORP eurjchem-119 403 45 1 CARDINAL eurjchem-119 403 46 2 CARDINAL eurjchem-119 403 47 2010 DATE eurjchem-119 404 1 142­161 CARDINAL eurjchem-119 404 2 160 CARDINAL eurjchem-119 404 3 slater PERSON eurjchem-119 404 4 half CARDINAL eurjchem-119 404 5 161 CARDINAL eurjchem-119 406 1 162,163 CARDINAL eurjchem-119 407 1 164 CARDINAL eurjchem-119 407 2 rydberg ORG eurjchem-119 408 1 161 CARDINAL eurjchem-119 409 1 23 CARDINAL eurjchem-119 410 1 30 CARDINAL eurjchem-119 411 1 160 CARDINAL eurjchem-119 411 2 2003 DATE eurjchem-119 411 3 112 CARDINAL eurjchem-119 412 1 165 CARDINAL eurjchem-119 415 1 166 CARDINAL eurjchem-119 415 2 1.4 CARDINAL eurjchem-119 415 3 3.6å CARDINAL eurjchem-119 415 4 0.1å CARDINAL eurjchem-119 416 1 1a CARDINAL eurjchem-119 416 2 1b CARDINAL eurjchem-119 416 3 2a CARDINAL eurjchem-119 417 1 1b CARDINAL eurjchem-119 417 2 2a CARDINAL eurjchem-119 418 1 31 CARDINAL eurjchem-119 419 1 1b CARDINAL eurjchem-119 419 2 2a CARDINAL eurjchem-119 420 1 31 CARDINAL eurjchem-119 421 1 6 CARDINAL eurjchem-119 421 2 10 CARDINAL eurjchem-119 421 3 the ks GPE eurjchem-119 421 4 11 CARDINAL eurjchem-119 422 1 167 CARDINAL eurjchem-119 423 1 3.2 CARDINAL eurjchem-119 423 2 hexatriene    cyclohexadiene PERSON eurjchem-119 425 1 19,168 CARDINAL eurjchem-119 426 1 17 CARDINAL eurjchem-119 426 2 1b CARDINAL eurjchem-119 426 3 2a CARDINAL eurjchem-119 426 4 1a CARDINAL eurjchem-119 427 1 169 CARDINAL eurjchem-119 427 2 first ORDINAL eurjchem-119 427 3 woodward PERSON eurjchem-119 427 4 hoffman PERSON eurjchem-119 428 1 170 CARDINAL eurjchem-119 428 2 ch2 PERSON eurjchem-119 431 1 chd ORG eurjchem-119 431 2 5 CARDINAL eurjchem-119 431 3 abrahamson PERSON eurjchem-119 432 1 171 CARDINAL eurjchem-119 432 2 5 CARDINAL eurjchem-119 433 1 three CARDINAL eurjchem-119 433 2 1a CARDINAL eurjchem-119 433 3 2a CARDINAL eurjchem-119 433 4 1b CARDINAL eurjchem-119 434 1 2a CARDINAL eurjchem-119 434 2 2 CARDINAL eurjchem-119 435 1 1a CARDINAL eurjchem-119 435 2 1b CARDINAL eurjchem-119 435 3 1 CARDINAL eurjchem-119 436 1 1a→1b CARDINAL eurjchem-119 436 2 1a→2a CARDINAL eurjchem-119 436 3 2pa ORDINAL eurjchem-119 436 4 1a CARDINAL eurjchem-119 436 5 2a CARDINAL eurjchem-119 437 1 1a CARDINAL eurjchem-119 437 2 2a CARDINAL eurjchem-119 437 3 2a CARDINAL eurjchem-119 439 1 5 CARDINAL eurjchem-119 439 2 5 CARDINAL eurjchem-119 441 1 172 CARDINAL eurjchem-119 445 1 robb PERSON eurjchem-119 446 1 173‐175 CARDINAL eurjchem-119 447 1 2a CARDINAL eurjchem-119 447 2 1a CARDINAL eurjchem-119 448 1 1b CARDINAL eurjchem-119 448 2 2a CARDINAL eurjchem-119 448 3 2a/1a CARDINAL eurjchem-119 448 4 1b/2a CARDINAL eurjchem-119 449 1 cas NORP eurjchem-119 449 2 second ORDINAL eurjchem-119 449 3 multireference PERSON eurjchem-119 449 4 pes PERSON eurjchem-119 450 1 176,177 CARDINAL eurjchem-119 450 2 pes PERSON eurjchem-119 450 3 chd ORG eurjchem-119 450 4 masunov PERSON eurjchem-119 450 5 european NORP eurjchem-119 450 6 1 CARDINAL eurjchem-119 450 7 2 CARDINAL eurjchem-119 450 8 2010 DATE eurjchem-119 450 9 155 CARDINAL eurjchem-119 450 10 2a/1a CARDINAL eurjchem-119 450 11 cix PRODUCT eurjchem-119 450 12 5 CARDINAL eurjchem-119 450 13 chd ORG eurjchem-119 453 1 2a CARDINAL eurjchem-119 453 2 chd ORG eurjchem-119 454 1 6 CARDINAL eurjchem-119 455 1 1b CARDINAL eurjchem-119 455 2 2a CARDINAL eurjchem-119 455 3 1b CARDINAL eurjchem-119 456 1 6 CARDINAL eurjchem-119 456 2 1b CARDINAL eurjchem-119 457 1 dft ORG eurjchem-119 457 2 second ORDINAL eurjchem-119 457 3 7 CARDINAL eurjchem-119 457 4 four CARDINAL eurjchem-119 457 5 chd ORG eurjchem-119 457 6 1b CARDINAL eurjchem-119 457 7 2a CARDINAL eurjchem-119 458 1 one CARDINAL eurjchem-119 459 1 6 CARDINAL eurjchem-119 460 1 1a CARDINAL eurjchem-119 460 2 1b CARDINAL eurjchem-119 460 3 2a CARDINAL eurjchem-119 461 1 1b CARDINAL eurjchem-119 461 2 chd ORG eurjchem-119 461 3 2a CARDINAL eurjchem-119 461 4 1a CARDINAL eurjchem-119 462 1 7 CARDINAL eurjchem-119 462 2 two CARDINAL eurjchem-119 463 1 31g//sts‐dft/6‐31 CARDINAL eurjchem-119 465 1 176 CARDINAL eurjchem-119 465 2 3.3 CARDINAL eurjchem-119 465 3 1 CARDINAL eurjchem-119 465 4 π‐ NORP eurjchem-119 465 5 156 CARDINAL eurjchem-119 465 6 masunov PERSON eurjchem-119 465 7 european NORP eurjchem-119 465 8 1 CARDINAL eurjchem-119 465 9 2 CARDINAL eurjchem-119 465 10 2010 DATE eurjchem-119 465 11 142­161 CARDINAL eurjchem-119 467 1 9 CARDINAL eurjchem-119 468 1 cas(10,10 PERSON eurjchem-119 468 2 6‐31 CARDINAL eurjchem-119 468 3 6‐31 CARDINAL eurjchem-119 470 1 cix PERSON eurjchem-119 470 2 first ORDINAL eurjchem-119 471 1 178 CARDINAL eurjchem-119 471 2 three CARDINAL eurjchem-119 472 1 two‐photon  photoinitiation  ORG eurjchem-119 473 1 8 CARDINAL eurjchem-119 474 1 one CARDINAL eurjchem-119 474 2 1b CARDINAL eurjchem-119 475 1 2a CARDINAL eurjchem-119 475 2 1b CARDINAL eurjchem-119 475 3 cix PERSON eurjchem-119 475 4 1b CARDINAL eurjchem-119 475 5 2a CARDINAL eurjchem-119 476 1 first ORDINAL eurjchem-119 476 2 c.a. GPE eurjchem-119 476 3 5  kcal QUANTITY eurjchem-119 477 1 1b CARDINAL eurjchem-119 477 2 2a CARDINAL eurjchem-119 477 3 8 CARDINAL eurjchem-119 477 4 1a CARDINAL eurjchem-119 477 5 1b CARDINAL eurjchem-119 477 6 2a CARDINAL eurjchem-119 478 1 6 CARDINAL eurjchem-119 478 2 3.4 CARDINAL eurjchem-119 478 3 2b CARDINAL eurjchem-119 478 4 4 CARDINAL eurjchem-119 478 5 belfield PERSON eurjchem-119 478 6 al PERSON eurjchem-119 479 1 152 CARDINAL eurjchem-119 479 2 2a CARDINAL eurjchem-119 479 3 ress PERSON eurjchem-119 479 4 2a CARDINAL eurjchem-119 479 5 9 CARDINAL eurjchem-119 479 6 2a CARDINAL eurjchem-119 480 1 179 CARDINAL eurjchem-119 481 1 2a CARDINAL eurjchem-119 483 1 2a CARDINAL eurjchem-119 483 2 two CARDINAL eurjchem-119 483 3 470–550 CARDINAL eurjchem-119 483 4 360–390 CARDINAL eurjchem-119 484 1 423 CARDINAL eurjchem-119 484 2 324 CARDINAL eurjchem-119 485 1 first ORDINAL eurjchem-119 485 2 second ORDINAL eurjchem-119 485 3 one CARDINAL eurjchem-119 486 1 dft ORG eurjchem-119 487 1 first ORDINAL eurjchem-119 487 2 2a CARDINAL eurjchem-119 487 3 386 CARDINAL eurjchem-119 487 4 first ORDINAL eurjchem-119 487 5 216 CARDINAL eurjchem-119 487 6 2pa CARDINAL eurjchem-119 488 1 180,181 CARDINAL eurjchem-119 489 1 2a CARDINAL eurjchem-119 489 2 4 CARDINAL eurjchem-119 490 1 s s n ORG eurjchem-119 490 2 2a CARDINAL eurjchem-119 490 3 s s n ORG eurjchem-119 490 4 2b CARDINAL eurjchem-119 490 5 s s n ORG eurjchem-119 499 1 2c CARDINAL eurjchem-119 499 2 4 CARDINAL eurjchem-119 499 3 masunov PERSON eurjchem-119 499 4 european NORP eurjchem-119 499 5 1 CARDINAL eurjchem-119 499 6 2 CARDINAL eurjchem-119 499 7 2010 DATE eurjchem-119 499 8 157 CARDINAL eurjchem-119 499 9 9 CARDINAL eurjchem-119 499 10 2a CARDINAL eurjchem-119 499 11 4 CARDINAL eurjchem-119 500 1 6 CARDINAL eurjchem-119 502 1 2a CARDINAL eurjchem-119 502 2 2b CARDINAL eurjchem-119 502 3 atda‐udft//sts‐dft PERSON eurjchem-119 502 4 3.2 CARDINAL eurjchem-119 502 5 3.3 CARDINAL eurjchem-119 502 6 2b CARDINAL eurjchem-119 503 1 10b CARDINAL eurjchem-119 504 1 4.7 CARDINAL eurjchem-119 504 2 8.0 kcal QUANTITY eurjchem-119 505 1 diarylethene PERSON eurjchem-119 506 1 ks GPE eurjchem-119 506 2 2a CARDINAL eurjchem-119 506 3 2b CARDINAL eurjchem-119 506 4 2b CARDINAL eurjchem-119 506 5 11 CARDINAL eurjchem-119 506 6 2pa CARDINAL eurjchem-119 506 7 2a CARDINAL eurjchem-119 506 8 one CARDINAL eurjchem-119 507 1 1 CARDINAL eurjchem-119 507 2 pes PERSON eurjchem-119 507 3 2b CARDINAL eurjchem-119 509 1 1 CARDINAL eurjchem-119 509 2 1/2 CARDINAL eurjchem-119 512 1 10b CARDINAL eurjchem-119 512 2 one CARDINAL eurjchem-119 513 1 the  pendant  group ORG eurjchem-119 514 1 the  pendant  group ORG eurjchem-119 515 1 2c CARDINAL eurjchem-119 515 2 4 CARDINAL eurjchem-119 515 3 2b CARDINAL eurjchem-119 515 4 2c CARDINAL eurjchem-119 515 5 11 CARDINAL eurjchem-119 516 1 the  pendant  group ORG eurjchem-119 517 1 10 CARDINAL eurjchem-119 518 1 2b CARDINAL eurjchem-119 518 2 2c CARDINAL eurjchem-119 518 3 dft ORG eurjchem-119 519 1 6 CARDINAL eurjchem-119 519 2 2b CARDINAL eurjchem-119 519 3 2c CARDINAL eurjchem-119 520 1 2c CARDINAL eurjchem-119 520 2 2c CARDINAL eurjchem-119 520 3 10c CARDINAL eurjchem-119 523 1 30 CARDINAL eurjchem-119 523 2 158 CARDINAL eurjchem-119 523 3 masunov PERSON eurjchem-119 523 4 european NORP eurjchem-119 523 5 1 CARDINAL eurjchem-119 523 6 2 CARDINAL eurjchem-119 523 7 2010 DATE eurjchem-119 523 8 11 CARDINAL eurjchem-119 523 9 kohn‐sham PERSON eurjchem-119 523 10 a.u. GPE eurjchem-119 523 11 2b CARDINAL eurjchem-119 523 12 2c CARDINAL eurjchem-119 524 1 2b CARDINAL eurjchem-119 524 2 2c CARDINAL eurjchem-119 525 1 2c CARDINAL eurjchem-119 525 2 12 CARDINAL eurjchem-119 525 3 1pa CARDINAL eurjchem-119 525 4 2pa ORDINAL eurjchem-119 525 5 2b CARDINAL eurjchem-119 525 6 2c CARDINAL eurjchem-119 527 1 1pa ORDINAL eurjchem-119 527 2 2pa ORDINAL eurjchem-119 527 3 2b CARDINAL eurjchem-119 527 4 2c CARDINAL eurjchem-119 527 5 12 CARDINAL eurjchem-119 527 6 2pa ORDINAL eurjchem-119 527 7 30 CARDINAL eurjchem-119 527 8 gm ORG eurjchem-119 527 9 300 CARDINAL eurjchem-119 527 10 600 CARDINAL eurjchem-119 527 11 2pa ORDINAL eurjchem-119 528 1 4 CARDINAL eurjchem-119 529 1 2pa ORDINAL eurjchem-119 530 1 second ORDINAL eurjchem-119 531 1 masunov PERSON eurjchem-119 531 2 european NORP eurjchem-119 531 3 1 CARDINAL eurjchem-119 531 4 2 CARDINAL eurjchem-119 531 5 2010 DATE eurjchem-119 531 6 159 CARDINAL eurjchem-119 531 7 first ORDINAL eurjchem-119 531 8 second ORDINAL eurjchem-119 532 1 2pa ORDINAL eurjchem-119 532 2 kohn‐sham PERSON eurjchem-119 533 1 unrelaxed PERSON eurjchem-119 534 1 slater PERSON eurjchem-119 535 1 hexatriene PERSON eurjchem-119 545 1 the  national  science  foundation  ORG eurjchem-119 545 2 0740344 DATE eurjchem-119 546 1 1 CARDINAL eurjchem-119 546 2 ucf  institute  for  simulation ORG eurjchem-119 546 3 2 CARDINAL eurjchem-119 546 4 ucf PERSON eurjchem-119 546 5 3 CARDINAL eurjchem-119 546 6 the  national  energy  research ORG eurjchem-119 546 7 lawrence berkely PERSON eurjchem-119 547 1 aem ORG eurjchem-119 547 2 comp NORP eurjchem-119 547 3 2008 DATE eurjchem-119 547 4 annual DATE eurjchem-119 547 5 american NORP eurjchem-119 548 1 1 CARDINAL eurjchem-119 549 1 kaneko PERSON eurjchem-119 549 2 m. mrs bull PERSON eurjchem-119 549 3 2006 DATE eurjchem-119 549 4 31 CARDINAL eurjchem-119 549 5 314‐317 CARDINAL eurjchem-119 550 1 2 CARDINAL eurjchem-119 551 1 wang PERSON eurjchem-119 551 2 j.  g. PERSON eurjchem-119 551 3 sun PERSON eurjchem-119 551 4 c.  j. PERSON eurjchem-119 551 5 j. PERSON eurjchem-119 551 6 g.  a. PERSON eurjchem-119 551 7 cywinski PERSON eurjchem-119 551 8 j.; sanders PERSON eurjchem-119 551 9 g. d. PERSON eurjchem-119 551 10 stanton PERSON eurjchem-119 551 11 c.  j. PERSON eurjchem-119 551 12 j.  phys ORG eurjchem-119 552 1 condens PERSON eurjchem-119 552 2 2006 DATE eurjchem-119 552 3 18 CARDINAL eurjchem-119 552 4 r501‐r530 PRODUCT eurjchem-119 553 1 3 CARDINAL eurjchem-119 554 1 zhou PERSON eurjchem-119 554 2 g. f. mater PERSON eurjchem-119 555 1 sci. PERSON eurjchem-119 555 2 eng GPE eurjchem-119 555 3 2001 DATE eurjchem-119 555 4 304 CARDINAL eurjchem-119 556 1 4 CARDINAL eurjchem-119 557 1 kawata ORG eurjchem-119 557 2 kawata ORG eurjchem-119 557 3 2000 DATE eurjchem-119 557 4 100 CARDINAL eurjchem-119 558 1 5 CARDINAL eurjchem-119 558 2 irie PERSON eurjchem-119 558 3 2000 DATE eurjchem-119 558 4 100 CARDINAL eurjchem-119 558 5 1685‐1716 CARDINAL eurjchem-119 559 1 6 CARDINAL eurjchem-119 560 1 parthenopoulos PERSON eurjchem-119 560 2 d. a. PERSON eurjchem-119 560 3 1989 DATE eurjchem-119 560 4 245 CARDINAL eurjchem-119 560 5 843‐845 DATE eurjchem-119 561 1 7 CARDINAL eurjchem-119 561 2 saita PERSON eurjchem-119 561 3 s.; yamaguchi PERSON eurjchem-119 561 4 kawai PERSON eurjchem-119 562 1 2005 DATE eurjchem-119 562 2 6 CARDINAL eurjchem-119 562 3 2300‐2306 CARDINAL eurjchem-119 563 1 8 CARDINAL eurjchem-119 564 1 a. n.; greenwald PERSON eurjchem-119 564 2 jaber PERSON eurjchem-119 564 3 a. m.; reisman PERSON eurjchem-119 564 4 j.  jpn PERSON eurjchem-119 565 1 1 2006 DATE eurjchem-119 565 2 45 CARDINAL eurjchem-119 565 3 1229‐1234 CARDINAL eurjchem-119 566 1 9 CARDINAL eurjchem-119 567 1 m.; ravaglia PERSON eurjchem-119 567 2 m.; bearpark PERSON eurjchem-119 567 3 m. j.; garavelli PERSON eurjchem-119 567 4 m.; robb PERSON eurjchem-119 567 5 m.  a. j. phys. PERSON eurjchem-119 568 1 a 2003 DATE eurjchem-119 568 2 107 CARDINAL eurjchem-119 568 3 11139‐11152 CARDINAL eurjchem-119 569 1 10 CARDINAL eurjchem-119 570 1 koppel PERSON eurjchem-119 570 2 m.; mahapatra PERSON eurjchem-119 570 3 2000 DATE eurjchem-119 570 4 80 CARDINAL eurjchem-119 570 5 942‐949 CARDINAL eurjchem-119 571 1 11 CARDINAL eurjchem-119 572 1 kendrick PERSON eurjchem-119 572 2 b. k. j. chem PERSON eurjchem-119 572 3 2001 DATE eurjchem-119 572 4 114 CARDINAL eurjchem-119 573 1 12 CARDINAL eurjchem-119 573 2 m. d.; jasper PERSON eurjchem-119 573 3 a. w.; volobuev PERSON eurjchem-119 573 4 schwenke PERSON eurjchem-119 573 5 d. w. PERSON eurjchem-119 573 6 d. NORP eurjchem-119 573 7 g. j. phys PERSON eurjchem-119 574 1 2000 DATE eurjchem-119 574 2 104 CARDINAL eurjchem-119 574 3 217‐232 CARDINAL eurjchem-119 575 1 13 CARDINAL eurjchem-119 576 1 jasper PERSON eurjchem-119 576 2 a. w. PERSON eurjchem-119 576 3 d. g. j. chem PERSON eurjchem-119 576 4 2005 DATE eurjchem-119 576 5 122 CARDINAL eurjchem-119 577 1 14 CARDINAL eurjchem-119 578 1 z.  g. PERSON eurjchem-119 578 2 s. PERSON eurjchem-119 578 3 a.  l. PERSON eurjchem-119 578 4 w. PERSON eurjchem-119 578 5 faraday PERSON eurjchem-119 578 6 2004 DATE eurjchem-119 578 7 127 CARDINAL eurjchem-119 578 8 283‐293 CARDINAL eurjchem-119 579 1 15 CARDINAL eurjchem-119 580 1 garavelli PERSON eurjchem-119 580 2 m. theor PERSON eurjchem-119 580 3 2006 DATE eurjchem-119 580 4 116 CARDINAL eurjchem-119 580 5 87‐105 CARDINAL eurjchem-119 581 1 16 CARDINAL eurjchem-119 582 1 d. g. PERSON eurjchem-119 582 2 gordon PERSON eurjchem-119 582 3 m. s. science  PERSON eurjchem-119 582 4 1990 DATE eurjchem-119 582 5 249 CARDINAL eurjchem-119 582 6 491‐498 DATE eurjchem-119 583 1 17 CARDINAL eurjchem-119 584 1 w. PERSON eurjchem-119 584 2 k.  l. PERSON eurjchem-119 584 3 s. PERSON eurjchem-119 584 4 schikarski PERSON eurjchem-119 584 5 w. e. PERSON eurjchem-119 584 6 trushin PERSON eurjchem-119 584 7 s. a. ber. PERSON eurjchem-119 585 1 1997 DATE eurjchem-119 585 2 101 CARDINAL eurjchem-119 586 1 18 CARDINAL eurjchem-119 587 1 f.; olivucci PERSON eurjchem-119 587 2 m.; robb PERSON eurjchem-119 587 3 m. a. PERSON eurjchem-119 587 4 1996 DATE eurjchem-119 587 5 25 CARDINAL eurjchem-119 587 6 321‐ CARDINAL eurjchem-119 587 7 328 CARDINAL eurjchem-119 588 1 19 CARDINAL eurjchem-119 589 1 w. PERSON eurjchem-119 589 2 a. m.; schikarski PERSON eurjchem-119 589 3 w. e. PERSON eurjchem-119 589 4 trushin PERSON eurjchem-119 589 5 s. a. PERSON eurjchem-119 590 1 1998 DATE eurjchem-119 590 2 232 CARDINAL eurjchem-119 590 3 161‐174 DATE eurjchem-119 591 1 20 CARDINAL eurjchem-119 592 1 robb PERSON eurjchem-119 592 2 m. a. 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