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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
9-Jan-2024 | ts-73prime | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RB3LYP | GEN | -2726.92522749; Eh | ||||
9-Jan-2024 | 9 | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RB3LYP | GEN | -2726.958753; Eh | ||||
9-Jan-2024 | ts-56 | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RB3LYP | GEN | -3401.04855280; Eh | ||||
9-Jan-2024 | ts-57 | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RB3LYP | GEN | -3401.05035786; Eh |
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