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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 19-Apr-2018 | TS23p-15p | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -1070.19583429; Eh | |||
![]() | 19-Apr-2018 | TS23-15 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -1070.19969069; Eh | |||
![]() | 19-Apr-2018 | PhenylPropyne | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -347.551671769; Eh | |||
![]() | 19-Apr-2018 | 15Ag | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -1819.28779144; Eh | |||
![]() | 19-Apr-2018 | 16 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -1070.25883727; Eh | |||
![]() | 19-Apr-2018 | 15 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -1070.23762222; Eh | |||
![]() | 19-Apr-2018 | 3 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -767.055568796; Eh | |||
![]() | 19-Apr-2018 | CO2 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -188.537554008; Eh | |||
![]() | 19-Apr-2018 | CpRhCl2_dimer | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -2447.50660355; Eh | |||
![]() | 19-Apr-2018 | TS24-25 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -1229.28453098; Eh |
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