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- 2009
- ENDOR and HYSCORE Analysis and DFT-Assisted Identification of the Third Major Stable Radical in Sucrose Single Crystals X-Irradiated at Room Temperature (
- Combined Electron Magnetic Resonance and Density Functional Theory Study of Thermally Induced Free Radical Reactions in Fructose and Trehalose Single Crystals (
- Elucidation of radiation-induced processes using DFT calculations (
- Mobile Block Hessian Approach with Adjoined Blocks: An Efficient Approach for the Calculation of Frequencies in Macromolecules (
- QM/MM Meta-Dynamics Study of Asparagine Deamidation in Proteins (
- DFT characterisation of structural and EPR properties of Rh defects in alkali halide lattices (
- Thermally activated reactions of radiation-induced radicals in sugar single crystals: an electron magnetic resonance and DFT study (
- Radiation-induced radical formation in solid state sugars: a review of recent EMR and DFT results (
- Modeling Radiation-Damage Processes in Organic Solids via DFT Calculations of EMR Parameters (
- 2008
- Effect of temperature on the EPR properties of a rhamnose alkoxy radical: A DFT molecular dynamics study (