- previous
- 1
- next
Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | _2constrained_TD-DFT | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | RPBE1PBE; TD-FC | - | -1568.90247784; Eh | ||
 | _1constrained_TD-DFT | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | RPBE1PBE; TD-FC | - | -1568.89840410; Eh | ||
 | _1_TD-DFT | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | RPBE1PBE; TD-FC | - | -1568.94098020; Eh | ||
 | _2_TD-DFT | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | RPBE1PBE; TD-FC | - | -1568.94461256; Eh | ||
 | _2_TD-DFT | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | RPBE1PBE; TD-FC | - | -1298.77397156; Eh | ||
 | _1_TD-DFT | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | RPBE1PBE; TD-FC | - | -1298.76768272; Eh | ||
 | _1constrained_TD-DFT | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | RPBE1PBE; TD-FC | - | -5758.39190876; Eh | ||
 | _2constrained_TD-DFT | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | RPBE1PBE; TD-FC | - | -5758.33247866; Eh | ||
 | _2_TD-DFT | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | RPBE1PBE; TD-FC | - | -5758.40376150; Eh | ||
 | TD-DFT | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | RPBE1PBE; TD-FC | - | -4757.92369416; Eh |
Results 1-10 of 10 (Search time: 0.056 seconds).