Bugs in computational chemistry software and their consequences: the importance of the source code

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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

François-Yves Dupradeau1, Jacques Rochette

  • 1GRBPD, UPRES EA 2629, Faculté de Pharmacie, Université de Picardie Jules Verne, 1-3 rue des Louvels, 80037 Amiens, Cedex 1, France. fyd@u-picardie.fr

Journal of Molecular Modeling
|July 12, 2003
PubMed

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