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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

A new graph descriptor for molecules containing cycles. Application as screening criterion for searching molecular

L Dury1, T Latour, L Leherte

  • 1Laboratoire de Physico-Chimie Informatique and Laboratoire de Chimie Organique de Synthèse, Facultés Universitaires Notre-Dame de la Paix, Rue de Bruxelles 61, B-5000 Namur, Belgium. laurent.dury@fundp.ac.be

Journal of Chemical Information and Computer Sciences
|December 26, 2001
PubMed

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