SPIN AND ELECTRON DENSITY REDISTRIBUTION UPON BINDING OF NON-INNOCENT LIGAND BY IRON IN ENZYMATIC ENVIRONMENT: CHALLENGES FOR QUANTUM CHEMISTRY
The quality of the description of a chemical bond between the metal (active site) and the ligand (substrate) critically depends on the electronic processes accompanying the bond formation. However, as far as transition metal centers (TM) in enzymes are considered, most of the properties related to...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Gdańsk University of Technology
2014-07-01
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| Series: | TASK Quarterly |
| Subjects: | |
| Online Access: | https://journal.mostwiedzy.pl/TASKQuarterly/article/view/1908 |