Show
Sort by
-
Assessment of periodic and cluster-in-vacuo models for first principles calculation of EPR parameters of paramagnetic defects in crystals: Rh2+ defects in NaCl as case study
-
- Conference Paper
- C3
- open access
Which role do excited states play in radiation damage to organic solid-state compounds?
(2010) -
- Conference Paper
- C3
- open access
Direct-effect radiation chemistry of solid-state carbohydrates using EMR and DFT
-
Oxidation and reduction products of X irradiation at 10 K in sucrose single crystals: radical identification by EPR, ENDOR, and DFT
-
Electron magnetic resonance and density functional theory study of room temperature X-irradiated β-D-fructose single crystals
-
ENDOR and HYSCORE Analysis and DFT-Assisted Identification of the Third Major Stable Radical in Sucrose Single Crystals X-Irradiated at Room Temperature
-
- Conference Paper
- C3
- open access
Thermally activated reactions of radiation-induced radicals in sugar single crystals: an electron magnetic resonance and DFT study
-
- Conference Paper
- C3
- open access
Radiation-induced radical formation in solid state sugars: a review of recent EMR and DFT results
-
- Conference Paper
- C3
- open access
Combined Electron Magnetic Resonance and Density Functional Theory Study of Thermally Induced Free Radical Reactions in Fructose and Trehalose Single Crystals
-
- Conference Paper
- C3
- open access
Modeling Radiation-Damage Processes in Organic Solids via DFT Calculations of EMR Parameters
-
- Conference Paper
- C3
- open access
DFT characterisation of structural and EPR properties of Rh defects in alkali halide lattices
-
Radiation-induced defects in sucrose single crystals, revisited: a combined electron magnetic resonance and density functional theory study
-
Identifying radiation-induced radicals and their formation mechanisms in sugars and sugar derivatives using DFT methods
-
Radicals in Sucrose Single Crystals Induced by X-rays at Different Temperatures: a Combined EPR and DFT Study
-
Radiation-Induced Radicals in Glucose-1-phosphate. II. DFT Analysis of Structures and Possible Formation Mechanisms
-
Radiation-Induced Radicals in Glucose-1-phosphate. I. Electron Paramagnetic Resonance and Electron Nuclear Double Resonance Analysis of in situ X-Irradiated Single Crystals at 77 K
-
Identification and conformational study of stable radiation-induced defects in sucrose single crystals using density functional theory calculations of electron magnetic resonance parameters
-
Combined electron magnetic resonance and density functional theory study of 10 K x-irradiated beta-D-Fructose single crystals
-
X- (X = O, S, Se) ions in alkali halide lattices through density functional calculations. 2. Interstitial defect models
-
Q-band EPR and ENDOR of low temperature X-irradiated beta-D-fructose single crystals