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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | Mossbauer-Fe(Lopen)(MeCN)-doublet | Fondevila, Adiran J. De Aguirre | Orca; 4.0.1.2; RELEASE | DFT | def2-TZVPP; Autoaux; CP(PPP) | -2485.19885151; Eh | ||
 | Mossbauer-Fe(Lopen)(MeCN)-quartet | Fondevila, Adiran J. De Aguirre | Orca; 4.0.1.2; RELEASE | DFT | def2-TZVPP; Autoaux; CP(PPP) | -2485.18593058; Eh | ||
 | Mossbauer-Fe(Lopen)(MeCN)-sextet | Fondevila, Adiran J. De Aguirre | Orca; 4.0.1.2; RELEASE | DFT | def2-TZVPP; Autoaux; CP(PPP) | -2485.20120640; Eh | ||
 | Mossbauer-Fe(Lcyc)(MeCN)-doublet | Fondevila, Adiran J. De Aguirre | Orca; 4.0.1.2; RELEASE | DFT | def2-TZVPP; Autoaux; CP(PPP) | -2485.17528699; Eh | ||
 | Mossbauer-Fe(Lcyc)(MeCN)-quartet | Fondevila, Adiran J. De Aguirre | Orca; 4.0.1.2; RELEASE | DFT | def2-TZVPP; Autoaux; CP(PPP) | -2485.20112384; Eh | ||
 | Mossbauer-Fe(Lcyc)(MeCN)-sextet | Fondevila, Adiran J. De Aguirre | Orca; 4.0.1.2; RELEASE | DFT | def2-TZVPP; Autoaux; CP(PPP) | -2485.19411679; Eh |
Results 1-6 of 6 (Search time: 0.002 seconds).