Structural and thermodynamic properties of two polymorphic modifications of the insensitive high explosive 5-nitro-2,4-dihydro-1,2,4-triazol-3-one (NTO) under finite pressures and temperatures from ab initio calculations-Reference-Cited by-同舟云学术

Structural and thermodynamic properties of two polymorphic modifications of the insensitive high explosive 5-nitro-2,4-dihydro-1,2,4-triazol-3-one (NTO) under finite pressures and temperatures from ab initio calculations

Published:2015 Issue:40 Volume:17 Page:7653-7662
ISSN:1466-8033
Container-title:CrystEngComm
language:en
Short-container-title:CrystEngComm

Author:

Rykounov A. A.

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CE/C5CE01429H

Reference47 articles.

1. Ab Initio Study of Compressed 1,3,5,7-Tetranitro-1,3,5,7-tetraazacyclooctane (HMX), Cyclotrimethylenetrinitramine (RDX), 2,4,6,8,10,12-Hexanitrohexaazaisowurzitane (CL-20), 2,4,6-Trinitro-1,3,5-benzenetriamine (TATB), and Pentaerythritol Tetranitrate (PETN)

2. Hydrostatic and uniaxial compression studies of 1,3,5-triamino- 2,4,6-trinitrobenzene using density functional theory with van der Waals correction

3. “Stubborn” triaminotrinitrobenzene: Unusually high chemical stability of a molecular solid to 150 GPa

4. Hydrostatic pressure effects on structural and electronic properties of TATB from first principles calculations

5. Nearly Equivalent Inter- and Intramolecular Hydrogen Bonding in 1,3,5-Triamino-2,4,6-trinitrobenzene at High Pressure

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