Molecular Dynamics Simulations of Initial Decomposition Process on the Unique N−N Bond in Nitramines in the Crystalline State-Reference-Cited by-同舟云学术

Molecular Dynamics Simulations of Initial Decomposition Process on the Unique N−N Bond in Nitramines in the Crystalline State

Published:1996-01-01 Issue:12 Volume:100 Page:4701-4712
ISSN:0022-3654
Container-title:The Journal of Physical Chemistry
language:en
Short-container-title:J. Phys. Chem.

Author:

Kohno Yuji¹,Ueda Kazuyoshi²,Imamura Akira³

Affiliation:

1. Chugoku Kayaku Co., Ltd., Etajima-cho, Aki-gun, Hiroshima 737-21, Japan

2. Department of Chemistry, Faculty of Science, Hiroshima University, Kagamiyama, 1-3-1, Higashi Hiroshima-City 724, Japan

3. Department of Chemistry, Faculty of Science, Hiroshima University, Kagamiyama, 1-3-1, Higashi Hiroshima-City 724, Japan, and PRESTO, Research Development Corporation of Japan, Research Consortium, Tsukuba 300-26, Japan

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,General Engineering

Link

https://pubs.acs.org/doi/pdf/10.1021/jp9503223

Reference38 articles.

1. Relation entre la Structure Electronique et la Sensibilité au Choc des Explosifs Secondaires Nitrés-Critère Moléculaire de Sensibilité. I. Cas des Nitroaromatiques et des Nitramines

2. Relation entre La Structure Electronique et la Sensibilité au Choc des Explosifs Secondaires Nitrés. III. Influence de l'environnement cristallin

3. A relationship between impact sensitivity and the electrostatic potentials at the midpoints of CNO2 bonds in nitroaromatics

4. Computational study of the nitrogen-nitro rotational energy barriers in some aliphatic and alicyclic nitramines

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