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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
16-Oct-2020 | /Rh/III V | Armengol i Relats, Helena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-31G(D,P) GENECP | -3021.98855971; Eh | ||||
16-Oct-2020 | /Rh/Rh Rh2TFA4 | Armengol i Relats, Helena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-31G(D,P) GENECP | -2323.96839904; Eh | ||||
16-Oct-2020 | /Rh/Mes mesitylene | Armengol i Relats, Helena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31G(D,P) GENECP | -350.235781599; Eh | ||||
16-Oct-2020 | /Rh/1a 1a | Armengol i Relats, Helena | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31G(D,P) GENECP | -697.981886190; Eh |
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