Numerical examination of performance of some exchange-correlation functionals for molecules containing heavy elements

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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

Fan Wang1, Lemin Li

  • 1State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry, and Molecular Engineering, Peking University, Beijing 100871, People's Republic of China.

Journal of Computational Chemistry
|February 24, 2004
PubMed

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