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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

Ab initio analytical infrared intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham

Lorenzo Maschio1, Bernard Kirtman, Roberto Orlando

  • 1Dipartimento di Chimica, Università di Torino and NIS-Nanostructured Interfaces and Surfaces-Centre of Excellence, Via P. Giuria 5, 10125 Torino, Italy. lorenzo.maschio@unito.it

The Journal of Chemical Physics
|December 5, 2012
PubMed

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