- previous
- 1
- next
Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | fac_6coord_NCS-doublet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1891.71801581; Eh | ||
 | Fe(tpena)(NCS)-quartet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1891.69854993; Eh | ||
 | fac_6coord_NCS-quartet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1891.70204980; Eh | ||
 | Fe(tpena)(NCS)-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1891.72026188; Eh | ||
 | fac_6coord_NCS-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1891.71806614; Eh | ||
 | fac_6coord_SCN-doublet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1891.69777483; Eh | ||
 | fac_6coord_SCN-quartet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1891.68812898; Eh | ||
 | fac_6coord_SCN-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1891.70039811; Eh | ||
 | i7-quartet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1891.69852406; Eh | ||
 | i7-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1891.72035544; Eh | ||
 | mer_6coord_NCS-doublet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1891.70047651; Eh | ||
 | mer_6coord_NCS-quartet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1891.69420615; Eh | ||
 | mer_6coord_NCS-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1891.71086294; Eh | ||
 | i7_SCN-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1891.71302084; Eh | ||
 | mer_6coord_SCN-doublet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1891.68203831; Eh | ||
 | mer_6coord_SCN-quartet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1891.68036667; Eh | ||
 | mer_6coord_SCN-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UB3LYP | 6-31+G(D) GENECP | -1891.69551597; Eh | ||
 | TD_fac-6coord-NCS-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UCAM-B3LYP; TD-FC | 6-31+G(D) GENECP | -1890.7899269; Eh | ||
 | TD_fac-6coord-SCN-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UCAM-B3LYP; TD-FC | 6-31+G(D) GENECP | -1890.7683658; Eh | ||
 | TD_mer-6coord-NCS-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UCAM-B3LYP; TD-FC | 6-31+G(D) GENECP | -1890.7806801; Eh | ||
 | TD_i7-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UCAM-B3LYP; TD-FC | 6-31+G(D) GENECP | -1890.7856026; Eh | ||
 | TD_mer-6coord-SCN-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UCAM-B3LYP; TD-FC | 6-31+G(D) GENECP | -1890.7622458; Eh | ||
 | TD_i7_SCN-sextet | Fondevila, Adiran J. De Aguirre | Gaussian; 09; EM64L-G09RevD.01 | UCAM-B3LYP; TD-FC | 6-31+G(D) GENECP | -1890.7719295; Eh |
- previous
- 1
- next
Results 1-23 of 23 (Search time: 0.003 seconds).