Hydrostatic Pressure Effects on Structural and Electronic Properties of ETN and PETN from First-Principles Calculations
Author:
Affiliation:
1. Physics Faculty, Kemerovo State University, Krasnaya 6, 650043, Kemerovo, Russia
Funder
Ministry of Education and Science of the Russian Federation
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b03335
Reference67 articles.
1. ReaxFF-lg: Correction of the ReaxFF Reactive Force Field for London Dispersion, with Applications to the Equations of State for Energetic Materials
2. Ab Initio Equation of State of the Organic Molecular Crystal: β-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine
3. Laser Initiation of Energetic Materials: Selective Photoinitiation Regime in Pentaerythritol Tetranitrate
4. Atoms-in-Molecules Study of Intra- and Intermolecular Bonding in the Pentaerythritol Tetranitrate Crystal
5. Experimental and DFT-D Studies of the Molecular Organic Energetic Material RDX
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