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Fast analytical evaluation of intermolecular electrostatic interaction energies using the pseudoatom representation

Daniel Nguyen1, Zbigniew Kisiel2, Anatoliy Volkov1

  • 1Department of Chemistry and Computational Science Program, Middle Tennessee State University, Murfreesboro, TN 37132, USA.

Acta Crystallographica. Section A, Foundations and Advances
|September 6, 2018
PubMed

Keywords:
charge densityelectrostatic interaction energypseudoatom model

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