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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 | TS24p-25p | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -1229.27068928; Eh | |||
 | 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 | 8 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB97D | 6-311++G** | -2646.35032480; Eh | |||
 | 19-Apr-2018 | 22 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -722.634707481; Eh | |||
 | 19-Apr-2018 | AgOAc | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -374.471442736; Eh | |||
 | 19-Apr-2018 | CuOAc2_dimer_T | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB97D | 6-311++G** | -1459.99328122; Eh | |||
 | 19-Apr-2018 | TS10p-11p | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB97D | 6-311++G** | -2993.89056525; Eh | |||
 | 19-Apr-2018 | AgOAc_dim | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -749.016808176; Eh | |||
 | 19-Apr-2018 | 13sing | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -2226.90567885; Eh |
Results 31-40 of 353 (Search time: 0.001 seconds).