Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
TS6_1_1 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -3983.88291201; Eh | |||
TS6_1_2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | RwB97XD | DEF2SVPP | -3983.87491793; Eh |
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