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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 19-Apr-2018 | TS24-25 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -1229.28453098; Eh | |||
![]() | 19-Apr-2018 | TS25-26 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -1229.30157652; Eh | |||
![]() | 19-Apr-2018 | 21 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -951.677168520; Eh | |||
![]() | 13-Jul-2018 | C6H6RuCl2_dimer | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -2493.62212413; Eh | |||
![]() | 13-Jul-2018 | C6H6RuCl2 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -1246.79705734; Eh | |||
![]() | 13-Jul-2018 | product | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -1033.23989952; Eh | |||
![]() | 13-Jul-2018 | H2O | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -76.4230585533; Eh | |||
![]() | 13-Jul-2018 | carbazole | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -517.221969605; Eh | |||
![]() | 13-Jul-2018 | HOAc | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -229.029637975; Eh |
Results 41-49 of 49 (Search time: 0.001 seconds).