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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 19-Apr-2018 | 12-RhI | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | LANL2DZ; 6-31G* | -303.048678591; Eh | |||
![]() | 19-Apr-2018 | 12-RhII | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB97D | LANL2DZ; 6-31G* | -763.343446901; Eh | |||
![]() | 19-Apr-2018 | 12-CuII-CuII | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB97D | LANL2DZ; 6-31G* | -2690.18282585; Eh | |||
![]() | 19-Apr-2018 | 12-CuII-CuI | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB97D | LANL2DZ; 6-31G* | -2229.97704733; Eh |
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