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Project: Experimental and quantumchemical study of the influence of molecular environment on NMR and EPR parameters of selected sugard and amino-acids in solid-state.

project duration
01-OCT-00 – 30-SEP-02
abstract
Quantumchemical ab-initio calculations of NMR and EPR properties in molecules offer a very helpful tool to the experimentalist. Numerous studies in this field have been conducted, but usually concentrate on only one molecule. The aim of this research project is to investigate the effect of the molecular environment on calculated NMR and EPR properties of biomolecules in solid state.