Interaction of Metal Cations in Bioorganic Environment. Computational Study Using Quantum Mechanics and Molecular MechanicsTools.
| Thesis title in Czech: | Interakce kovových iontů v bioorganickém prostředí; kvantově-chemická a molekulově-mechanická výpočetní studie. |
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| Thesis title in English: | Interaction of Metal Cations in Bioorganic Environment. Computational Study Using Quantum Mechanics and Molecular MechanicsTools. |
| Key words: | rutheniové komplexy, piano-stool struktura, hybridní QM/MM metoda, DFT, umbrella sampling, WHAM |
| English key words: | ruthenium(II) complexes, piano-stool structure, hybrid QM/MM method, DFT, umbrella sampling, WHAM |
| Academic year of topic announcement: | 2007/2008 |
| Thesis type: | dissertation |
| Thesis language: | angličtina |
| Department: | Department of Chemical Physics and Optics (32-KCHFO) |
| Supervisor: | prof. RNDr. Ing. Jaroslav Burda, DrSc. |
| Author: | hidden - assigned and confirmed by the Study Dept. |
| Date of registration: | 08.11.2007 |
| Date of assignment: | 08.11.2007 |
| Date and time of defence: | 07.09.2012 13:00 |
| Date of electronic submission: | 07.06.2012 |
| Date of submission of printed version: | 07.06.2012 |
| Date of proceeded defence: | 07.09.2012 |
| Opponents: | prof. doc. RNDr. Petr Bouř, CSc. |
| prof. Tim Clark, Dr. | |