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Updated: Jul 10, 2026

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

On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters:

Biswajit Santra1, Angelos Michaelides, Matthias Scheffler

  • 1Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany.

The Journal of Chemical Physics
|November 21, 2007
PubMed

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