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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 19-Apr-2018 | 10 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB97D | 6-311++G** | -2993.91498325; 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 | TS15Ag-18 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -1819.27522650; Eh | ||||
| 19-Apr-2018 | TS21-22 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -951.663377417; Eh | ||||
| 19-Apr-2018 | 13 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB97D | 6-311++G** | -2226.89862742; Eh | ||||
| 19-Apr-2018 | 5 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB97D | 6-311++G** | -1651.63131080; 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 | 11 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB97D | 6-311++G** | -2993.94930150; Eh | ||||
| 19-Apr-2018 | 19 | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -1819.31875289; Eh | ||||
| 19-Apr-2018 | 24p | Funes-Ardoiz, Ignacio | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB97D | 6-311++G** | -1229.29177063; Eh |
Results 11-20 of 63 (Search time: 0.002 seconds).