Theoretical Predictions of Energetic Molecular Crystals at Ambient and Hydrostatic Compression Conditions Using Dispersion Corrections to Conventional Density Functionals (DFT-D)
Author:
Affiliation:
1. U.S. Department of Energy, National Energy Technology Laboratory, Pittsburgh, Pennsylvania 15236 and U.S. Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/jp100379a
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