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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
13-Oct-2016 | /K8_Ta6 def2TZVP_(no_TD-DFT) | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RPBE1PBE | - | -6571.08099584; Eh | ||||
19-Sep-2016 | /Cs1_Ta6 TD-DFT_stability | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RPBE1PBE | - | -1793.33940168; Eh | ||||
13-Oct-2016 | /Li8_Ta6 def2TZVP_(no_TD-DFT)_stability | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RPBE1PBE | - | -1833.15892388; Eh | ||||
13-Oct-2016 | /K8_Ta6 def2TZVP_(no_TD-DFT)_stability | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RPBE1PBE | - | -6571.08099584; Eh | ||||
13-Oct-2016 | /K8_Ta6 DFT_stability | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RPBE1PBE | - | -1999.02909052; Eh | ||||
19-Sep-2016 | /Nb6 TD-DFT_stability | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RPBE1PBE | - | -1772.78616069; Eh | ||||
13-Oct-2016 | /Li8_Ta6 def2TZVP_(no_TD-DFT) | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RPBE1PBE | - | -1833.15892391; Eh | ||||
13-Oct-2016 | /Li8_Ta6 AO_contribution_analysis | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | - | - | - | ||||
13-Oct-2016 | /K8_Ta6 AO_contribution_analysis | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | - | - | - | ||||
13-Oct-2016 | /Rb8_Ta6 TD-DFT_stability_ | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RPBE1PBE | - | -1965.77311116; Eh |
Results 21-30 of 48 (Search time: 0.002 seconds).