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List of works by Ewald Pauwels

Assessment of Atomic Charge Models for Gas-Phase Computations on Polypeptides

scientific article published on 17 January 2012

Comparative study of various normal mode analysis techniques based on partial Hessians

scientific article

Conformational sampling of macrocyclic alkenes using a Kennard-Stone-based algorithm

scientific article published in July 2010

Evidence for a Grotthuss-like mechanism in the formation of the rhamnose alkoxy radical based on periodic DFT calculations

scientific article published in January 2008

Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics

scientific article published in April 2014

Influence of protein environment on the electron paramagnetic resonance properties of flavoprotein radicals: a QM/MM study

scientific article

Radiation-induced radicals in alpha-D-glucose: Comparing DFT cluster calculations with magnetic resonance experiments

scientific article

Study of rhamnose radicals in the solid state adopting a density functional theory cluster approach

scientific article published in May 2006

Temperature study of a glycine radical in the solid state adopting a DFT periodic approach: vibrational analysis and comparison with EPR experiments

scientific article published on 30 May 2008

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