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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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A low-cost four-component relativistic equation of motion coupled cluster method based on frozen natural spinors:

Kshitijkumar Surjuse1, Somesh Chamoli1, Malaya K Nayak2

  • 1Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India.

The Journal of Chemical Physics
|December 1, 2022
PubMed

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