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Table 2
Binding energies (in kcal mol-1) of the open shell complexes of astrochemically observed species.
| Figure | Reaction/Complex | B3LYP/cc-pVTZ | UMP2/cc-pVTZ | UMP2/aug-cc-pVTZ | ZAPT2/cc-pVTZ | CCSD(T)/cc-pVTZ | |
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| Fig. 7 | H2CCH2 + H2CNH+ → [H2CCH2:H2CNH]+ | 17.31 | 10.15 | 11.25 | 9.44 | 10.28 | |
| Fig. 8.A | H2CNH2 + H2CNH → [H2CNH2], Pi-stack |
25.49 | 22.84 | 22.64 | 23.71 | 24.98 | |
| Fig. 8.B | H2CNH2 + H2CNH2 → [H2CNH2], Trans |
35.76 | 37.95 | 38.42 | 39.22 | 40.2 | |
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