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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
28-Apr-2023 | GoodVibes_thermochemistry_and_molecular_coordinates | Alegre Requena, Juan Vicente | Gaussian; 09; IA32W-G09RevA.02 | Single point Structure | - | - | - | ||||
28-Apr-2023 | Int-I_16 | Alegre Requena, Juan Vicente | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD | 6-31+G(D,P) | -2631.71906554; Eh |
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