Study of the Elastic Properties of the Energetic Molecular Crystals Using Density Functionals with van der Waals Corrections-Reference-Cited by-同舟云学术

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Study of the Elastic Properties of the Energetic Molecular Crystals Using Density Functionals with van der Waals Corrections

Published:2020-12-23 Issue:1 Volume:6 Page:642-648
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Fedorov Igor A.¹^ORCID,Nguyen Chuong V.²^ORCID,Prosekov Alexander Y.³^ORCID

Affiliation:

1. Kemerovo State University, Krasnaya 6, 650000 Kemerovo, Russia

2. Department of Materials Science and Engineering, Le Quy Don Technical University, Hanoi 100000, Vietnam

3. Department of Bionanotechnology, Kemerovo State University, Krasnaya 6, Kemerovo 650000, Russia

Funder

Ministry of Science and Higher Education of the Russian Federation

Council for Grants of the President of the Russian Federation

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acsomega.0c05152

Reference55 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. Laser Initiation of Energetic Materials: Selective Photoinitiation Regime in Pentaerythritol Tetranitrate

3. Atoms-in-Molecules Study of Intra- and Intermolecular Bonding in the Pentaerythritol Tetranitrate Crystal

4. Molecular Mechanisms of Shear Strain Sensitivity of the Energetic Crystals DADNE and TATB

5. Structural, vibrational, and quasiparticle band structure of 1,1-diamino-2,2-dinitroethelene from ab initio calculations

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