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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | _1_Optimization_and_Frequencies | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | RPBE1PBE | - | -1298.49164836; Eh | ||
 | _2_Stability | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | RPBE1PBE | - | -1298.49825930; Eh | ||
 | _2_Optimization_and_Frequencies | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | RPBE1PBE | - | -1298.49825930; Eh | ||
 | _1_stability | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | RPBE1PBE | - | -1298.49164834; Eh | ||
 | _1_Optimization_and_Frequencies_part2 | Serapian, Stefano | Gaussian; 09; EM64L-G09RevD.01 | RPBE1PBE | - | -1298.49164834; 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 |
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