Solvation and the excited states of formamide.
| Autor: | Krauss, M., Webb, S.P. |
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| Zdroj: | Journal of Chemical Physics; 10/15/1997, Vol. 107 Issue 15, p5771, 5p, 3 Diagrams, 3 Charts |
| Abstrakt: | Explores the excited state geometries of formamide using the multiconfiguration self-consistent-field method. Optimized equilibrium geometries for the S1 and T1 states; Calculation of the excitation energies at the ground and excited state geometries; Raman scattering from the S2 state. |
| Databáze: | Complementary Index |
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