Mgr. Kateřina Bouzková, Ph.D.
Senior researcher, Josef Dadok National NMR Centre
Correspondence Address:
Kamenice 753/5, 625 00 Brno
E‑mail: |
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Total number of publications: 19
2024
2014
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Origin of the Thermodynamic Stability of the Polymorph IV of Crystalline Barbituric Acid: Evidence from Solid-State NMR and Electron Density Analyses
Crystal Growth & Design, year: 2014, volume: 14, edition: 6, DOI
2013
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Intermolecular Interactions in Crystalline Theobromine as Reflected in Electron Deformation Density and 13C NMR Chemical Shift Tensors
Journal of Chemical Theory and Computation, year: 2013, volume: 9, edition: 6, DOI
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Interpretation of Crystal Effects on NMR Chemical Shift Tensors: Electron and Shielding Deformation Densities
The Journal of Physical Chemistry A, year: 2013, volume: 117, edition: 2, DOI
2011
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Chemical Shift Tensors in Isomers of Adenine: Relation to Aromaticity of Purine Rings?
ChemPhysChem, year: 2011, volume: 12, edition: 2, DOI
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Interpretation of substituent effects on 13C and 15N NMR chemical shifts in 6-substituted purines
Physical Chemistry Chemical Physics, year: 2011, volume: 13, edition: 35, DOI
2010
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13C Chemical Shift Tensors in Hypoxanthine and 6-Mercaptopurine : Effects of Substitution, Tautomerism, and Intermolecular Interactions
The Journal of Physical Chemistry A, year: 2010, volume: 114, edition: 4, DOI
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Interpretation of Indirect Nuclear Spin_Spin Couplings in Isomers of Adenine: Novel Approach to Analyze Coupling Electron Deformation Density Using Localized Molecular Orbitals
The Journal of Physical Chemistry A, year: 2010, volume: 114, edition: 24
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Understanding the NMR chemical shifts for 6-halopurines : role of structure, solvent and relativistic effects
Physical Chemistry Chemical Physics, year: 2010, volume: 12, edition: 19, DOI
2009
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Experimental and quantum-chemical studies of 1H, 13C and 15N NMR coordination shifts in Au(III), Pd(II) and Pt(II) chloride complexes with picolines
Magnetic Resonance in Chemistry, year: 2009, volume: 47, edition: 3