doc. Mgr. Markéta Munzarová, Dr. rer. nat.
Vice-Dean for Cooperation with Secondary Schools, Talent Management, Social Affairs and Lifelong Learning, Faculty of Science
correspondence Address:
Kotlářská 267/2, 611 37 Brno
office: bldg. C12/327
Kamenice 753/5
625 00 Brno
phone: | +420 549 49 5987 |
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e‑mail: |
social and academic networks: |
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Total number of publications: 51
2014
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Mechanism of Spin-Orbit Effects on the Ligand NMR Chemical Shift in Transition-Metal Complexes: Linking NMR to EPR
Journal of Chemical Theory and Computation, year: 2014, volume: 10, edition: 4, DOI
2013
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Toward Reproducing Sequence Trends in Phosphorus Chemical Shifts for Nucleic Acids by MD/DFT Calculations
Journal of Chemical Theory and Computation, year: 2013, volume: 9, edition: 3, DOI
2011
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Validation of relativistic DFT approaches to the calculation of NMR chemical shifts in square-planar Pt2+ and Au3+ complexes
Journal of Chemical Theory and Computation, year: 2011, volume: 7, edition: 12, DOI
2010
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Phosphorus Chemical Shifts in a Nucleic Acid Backbone from Combined Molecular Dynamics and Density Functional Calculations
The Journal of the American Chemical Society, year: 2010, volume: 132, edition: 48
2008
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31P Chemical Shift Tensors for Canonical and Non-Canonical Nucleic Acid Conformations: DFT Calculations and NMR Implications.
Journal of Physical Chemistry B, year: 2008, volume: 112, edition: 11
2007
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Conformational Dependence of 31P Chemical Shift Tensors in Nucleic Acids
Year: 2007, type: Conference abstract
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P-31 Chemical Shift Tensors in RNA and DNA Backbone. A DFT Study of Conformational Dependence and Its Implications for NMR Studies.
Year: 2007, type: Conference abstract
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Relationships between 31P Chemical Shift Tensors and Conformation of Nucleic Acid Backbobe: A DFT Study
Journal of Physical Chemistry B, year: 2007, volume: 111, edition: 12
2006
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Conformational Dependence of 31P Chemical Shift Tensors
Year: 2006, type: Conference abstract
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MD/DFT STUDY OF ENVIRONMENTAL EFFECTS ON 31P CHEMICAL SHIFT TENSORS IN B-DNA
Materials Structure in Chemistry, Biology, Physics and Technology, year: 2006, volume: 13, edition: 1