Mgr. Kateřina Bouzková, Ph.D.
senior researcher – Národní NMR centrum Josefa Dadoka
korespondenční adresa:
Kamenice 753/5, 625 00 Brno
e‑mail: |
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Počet publikací: 18
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, rok: 2014, ročník: 14, vydání: 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, rok: 2013, ročník: 9, vydání: 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, rok: 2013, ročník: 117, vydání: 2, DOI
2011
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Chemical Shift Tensors in Isomers of Adenine: Relation to Aromaticity of Purine Rings?
ChemPhysChem, rok: 2011, ročník: 12, vydání: 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, rok: 2011, ročník: 13, vydání: 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, rok: 2010, ročník: 114, vydání: 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, rok: 2010, ročník: 114, vydání: 24
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Understanding the NMR chemical shifts for 6-halopurines : role of structure, solvent and relativistic effects
Physical Chemistry Chemical Physics, rok: 2010, ročník: 12, vydání: 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, rok: 2009, ročník: 47, vydání: 3
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Intermediate motions and dipolar couplings as studied by Lee-Goldburg cross-polarization NMR: Hartmann-Hahn matching profiles
Physical Chemistry Chemical Physics, rok: 2009, ročník: 11, vydání: 32