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Dispersion XDM with Hybrid Functionals: Delocalization Error and Halogen Bonding in Molecular Crystals

Date

2019-08-01

Authors

Otero de la Roza, Alberto
LeBlanc, Luc M.
Johnson, Erin R.

Journal Title

Journal ISSN

Volume Title

Publisher

American Chemical Society

Abstract

Description

This document is the unedited Author's version of a Submitted Work that was subsequently accepted for publication in the Journal of Chemical Theory and Computation, copyright © American Chemical Society after peer review. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acs.jctc.9b00550

Keywords

Citation

A. Otero de la Roza, L. M. LeBlanc, E. R. Johnson, Dispersion XDM with Hybrid Functionals: Delocalization Error and Halogen Bonding in Molecular Crystals, J. Chem. Theory Comput. 15, 4933-4944 (2019). https://doi.org/10.1021/acs.jctc.9b00550

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