Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
18-Mar-2019 | Diphenylamide | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** | -631.568673208; Eh | ||||
24-Jun-2019 | Mo-3-alt1 | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -1824.75601112; Eh | ||||
24-Jun-2019 | Mo-5-1atm | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RM06 | 6-31+G** GENECP | -1825.95569643; Eh | ||||
24-Jun-2019 | Mo-ts-14-15 | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31+G** GENECP | -1941.61009948; Eh | ||||
24-Jun-2019 | Mo-ts-7-8-alt1 | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2265.93119664; Eh | ||||
24-Jun-2019 | Mo-8 | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2265.93962876; Eh | ||||
24-Jun-2019 | Mo-13 | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2381.62106693; Eh | ||||
24-Jun-2019 | Mo-ts-6-7-Me | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2265.93166626; Eh | ||||
24-Jun-2019 | Mo-ts-CNMe | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2305.21146809; Eh | ||||
24-Jun-2019 | N-methylacetanilide-cis | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GEN | -479.258201116; Eh |
Results 91-100 of 231 (Search time: 0.001 seconds).
Discover
Subject
Calculation type