Theoretical Predictions of Energetic Molecular Crystals at Ambient and Hydrostatic Compression Conditions Using Dispersion Corrections to Conventional Density Functionals (DFT-D)-Reference-Cited by-同舟云学术

Theoretical Predictions of Energetic Molecular Crystals at Ambient and Hydrostatic Compression Conditions Using Dispersion Corrections to Conventional Density Functionals (DFT-D)

Published:2010-03-12 Issue:14 Volume:114 Page:6734-6748
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Sorescu Dan C.¹,Rice Betsy M.¹

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

Reference65 articles.

1. Chemistry of Detonations. I. A Simple Method for Calculating Detonation Properties of C–H–N–O Explosives

2. Equation of state and reaction rate for condensed-phase explosives

3. Prediction of possible crystal structures for C-, H-, N-, O-, and F-containing organic compounds

4. Cryptic crystallography

5. The Atom-Atom Potential Method

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