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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
4-Apr-2022 | C-TS | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -1403.64714993; Eh | ||||
4-Apr-2022 | D_p-TS | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -1006.06368753; Eh | ||||
4-Apr-2022 | D-TS | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -1404.12107474; Eh |
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