CASSCF calculations for photoinduced processes in large molecules: Choosing when to use the RASSCF, ONIOM and MMVB approximations
| Autor: | Bearpark, Michael J., Ogliaro, Francois, Vreven, Thom, Boggio-Pasqua, Martial, Frisch, Michael J., Larkin, Susan M., Morrison, Marc, Robb, Michael A. |
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| Zdroj: | In Journal of Photochemistry & Photobiology, A: Chemistry 2007 190(2):207-227 |
| Databáze: | ScienceDirect |
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