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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

The use of time-averaged 3JHH restrained molecular dynamics (tar-MD) simulations for the conformational analysis of

Pieter M S Hendrickx1, Francisco Corzana, Stefaan Depraetere

  • 1NMR and Structure Analysis Unit, University of Ghent, Krijgslaan 281 S4, Ghent B-9000, Belgium.

Journal of Computational Chemistry
|June 17, 2009
PubMed

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