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Project

Molecular modeling of paramagnetic radiation-induced defects in solids

The project confronts experimental Electron Paramagnetic Resonance (EPR) and Electron Nuclear Double Resonance (ENDOR) results with their computational counterparts, obtained by Density Functional Theory (DFT).

Date:1 Jan 2008 →  30 Dec 2013
Keywords:molecular modeling, EPR, ENDOR, DFT
Disciplines:Analytical chemistry, Condensed matter physics and nanophysics, Atomic and molecular physics