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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Sep-2016 | /Ta6 DFT_Stability | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RPBE1PBE | - | -1772.70264428; Eh | |||
 | 19-Sep-2016 | /Cs4_Ta6 TD-DFT | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RPBE1PBE; TD-FC | - | -1853.73799692; Eh | |||
 | 19-Sep-2016 | /Cs4_Ta6 DFT_stability | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RPBE1PBE | - | -1853.20431191; Eh | |||
 | 19-Sep-2016 | /Cs8_Ta6 DFT_stability | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RPBE1PBE | - | -1933.68759421; Eh | |||
 | 19-Sep-2016 | /Cs8_Ta6 TD-DFT_stability | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RPBE1PBE | - | -1934.24463196; Eh | |||
 | 19-Sep-2016 | /Cs8_Ta6 TD-DFT | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RPBE1PBE; TD-FC | - | -1934.24463199; Eh | |||
 | 19-Sep-2016 | /Cs8_Ta6 AO_contribution_analysis | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | - | - | - | |||
 | 19-Sep-2016 | /Cs4_Nb6 TD-DFT_stability | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RPBE1PBE | - | -1853.32427520; Eh | |||
 | 19-Sep-2016 | /Cs4_Nb6 TD-DFT | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RPBE1PBE; TD-FC | - | -1853.32427518; Eh | |||
 | 19-Sep-2016 | /Cs4_Nb6 AO_contribution_analysis | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | - | - | - |
Results 11-20 of 48 (Search time: 0.001 seconds).