EnglishInterest: Applications of computational chemistry especially to structural/conformational analysis of organic molecules and organometallic complexes
Projects: (starting from the most recent):
- Modeling structure/taste relations in terms of Interaction of sweeteners and water, and their properties as cyclodextrin complexes
- Modeling Scytonemin, Derivatives and Iron Complexes of Scytonemin
- Modeling pyrazine and tetrazine complex ions of iron by dft
- Theoretical investigation of the potential for phosphines to coordinate transition metals
- Modeling bis-(1-methylimidazol-2-yl) glyoxal, biq and its Rh, Re, and Cu complexes
- Modeling Gllycoseaminoglycans
- Modeling Cr-tanning reactions in the presence of sulfate ion
- Modeling Metal Ions/Ligand Complexation Reactions
- Parametrization of MM3 for N-nitrosamines
- Modeling Phenyacetylene Macrocycles /a molecular turnstyle
- A Theoretical Approach to Flexibility of Oligosaccharides
- Modeling Thermal Decomposition of Isoxazole
- A theoretical investigation of solvent effect on the conformational equilibrium of 2-substituted cyclohexanone ketal derivatives
- Determination of “Sulfoxides” Parameters for MM3
- Molecular Mechanics Applications