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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

Comparison of basis set effects and the performance of ab initio and DFT methods for probing equilibrium fluctuations

Ross C Walker1, Ian P Mercer, Ian R Gould

  • 1Biophysics and Biological Chemistry Group, Department of Chemistry, Imperial College London, London, UK. ross@rosswalker.co.uk

Journal of Computational Chemistry
|December 23, 2006
PubMed

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