Open Access
Table A.7
Interaction energy decomposition at the SAPT2+/aug-cc-PVDZ level of theory
| Structure | Eelst | Eexch | Eind | Edisp | IE |
|---|---|---|---|---|---|
| CO − W2− a | 2405 | −2729 | 773 | 1202 | 1651 |
| CO − W2− b | 1008 | −1569 | 451 | 951 | 840 |
| CO − W3−a | 1180 | −1265 | 214 | 857 | 985 |
| CO − W3−b | 707 | −1149 | 163 | 1004 | 726 |
| CO − W3−c | 3101 | −3958 | 1170 | 1539 | 1852 |
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