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Including protein density relaxation effects in first-principles embedding calculations of cofactor excitation energies |
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| Authors: | Albrecht Goez |
| Affiliation: | Theoretische Organische Chemie, Organisch-Chemisches Institut and Center for Multiscale Theory and Computation, Westf?lische Wilhelms-Universit?t Münster , Münster, Germany |
| Abstract: | |
| Keywords: | Protein electron densities frozen density embedding subsystem density functional theory excited states |