Project information
NMR spektroskopie pevného stavu organických molekul, polymorfů, solvátů a komplexů
(ssNMR)
- Project Identification
- GAP206/11/0550
- Project Period
- 1/2011 - 12/2013
- Investor / Pogramme / Project type
-
Czech Science Foundation
- Standard Projects
- MU Faculty or unit
-
Central European Institute of Technology
- prof. RNDr. Radek Marek, Ph.D.
- Mgr. Martin Babinský, Ph.D.
- Mgr. Kateřina Bouzková, Ph.D.
- Mgr. Lucie Novosadová
- Mgr. Matej Pipíška
Cílem projektu je popis vlivu krystalové struktury organických sloučenin a farmaceutických substancí na tenzor chemického posunu, získaný pomocí NMR spektroskopie pevné fáze, a strukturní charakteristika některých polymorfů, solvátů a komplexů.
Publications
Total number of publications: 5
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
2012
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Platinum-Modified Adenines: Unprecedented Protonation Behavior Revealed by NMR Spectroscopy and Relativistic Density-Functional Theory Calculations
Inorganic Chemistry, year: 2012, volume: 51, edition: 3, DOI
2011
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Unprecedented pi...pi interaction between an aromatic ring and a pseudo-aromatic ring formed through intramolecular H-bonding in a bidentate Schiff base ligand: crystal structure and DFT calculations
Physical Chemistry Chemical Physics, year: 2011, volume: 13, edition: 35, DOI