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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Jan-2021 | Y11 | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UB3LYP | GENECP | - | |||
 | 9-Jan-2021 | Y10 | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UB3LYP | GENECP | - | |||
 | 9-Jan-2021 | Y9 | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UB3LYP | GENECP | - | |||
 | 9-Jan-2021 | R2 | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GENECP | - | |||
 | 9-Jan-2021 | Y7 | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GENECP | - | |||
 | 9-Jan-2021 | RP1_-cuhfacac_ | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GENECP | - | |||
 | 9-Jan-2021 | RP3-cuhfacac | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | GENECP | - | |||
 | 4-Apr-2022 | A | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -836.552072461; Eh | |||
 | 4-Apr-2022 | C-TS | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -1403.64714993; Eh | |||
 | 4-Apr-2022 | F | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -965.701700964; Eh |
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