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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Sep-2017 | 3 | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | 6-31+g(d) | -1858.15055969; Eh | |||
 | 29-Sep-2017 | TSPA | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | lanl2dz; 6-31+g(d) | -2856.21677656; Eh | |||
 | 29-Sep-2017 | 5_Me | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | lanl2dz; 6-31+g(d) | -2528.91819204; Eh | |||
 | 29-Sep-2017 | 7major_Me | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | lanl2dz; 6-31+g(d) | -3947.42424765; Eh | |||
 | 29-Sep-2017 | 7minor_Me | Fernández, Víctor | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | lanl2dz; 6-31+g(d) | -3947.42294477; Eh | |||
 | 30-May-2021 | /benchmarking/wB97X_D_6_311+Gdp NiCODdppf | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RwB97XD | 6-311+G(D,P) GENECP | -5079.2464923; Eh | |||
 | 30-May-2021 | /benchmarking/wB97X_D_6_311+Gdp Nidppf2 | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RwB97XD | 6-311+G(D,P) GENECP | -8026.0897768; Eh | |||
 | 30-May-2021 | /benchmarking/wB97X_D_6_311+Gdp dppf | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RwB97XD | 6-311+G(D,P) GENECP | -3258.8386869; Eh | |||
 | 30-May-2021 | /benchmarking/wB97X_D_6_311+Gdp COD | Nelson, David | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RwB97XD | 6-311+G(D,P) GENECP | -312.021771; Eh |
Results 11-19 of 19 (Search time: 0.002 seconds).