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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
7-Sep-2022 | TS-BC | Kojasoy, Volga | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | 6-31+G(D,P) | -781.756806074; Eh | ||||
7-Sep-2022 | TS-AB | Kojasoy, Volga | Gaussian; 09; AM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | 6-31+G(D,P) | -781.727000316; Eh |
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