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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
9-Jan-2021 | Y2 | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GENECP | - | ||||
9-Jan-2021 | Y1 | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UB3LYP | GENECP | - | ||||
9-Jan-2021 | R7 | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UB3LYP | GENECP | - | ||||
9-Jan-2021 | R10 | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GENECP | - | ||||
9-Jan-2021 | R11 | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GENECP | - | ||||
9-Jan-2021 | R9 | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GENECP | - | ||||
9-Jan-2021 | RP1-cuhfacac | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UB3LYP | GENECP | - | ||||
9-Jan-2021 | Rh2(OAc)4_ | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GENECP | - | ||||
9-Jan-2021 | P6-b | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(D) | - | ||||
9-Jan-2021 | A_-b | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP | 6-31G(D) | - |
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