Application of Ab Initio Molecular Dynamics for A Priori Elucidation of the Mechanism in Unimolecular Decomposition: The Case of 5-Nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (NTO)-Reference-Cited by-同舟云学术

Application of Ab Initio Molecular Dynamics for A Priori Elucidation of the Mechanism in Unimolecular Decomposition: The Case of 5-Nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (NTO)

Published:2001-02-14 Issue:10 Volume:123 Page:2243-2250
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Yim Wai-Leung¹,Liu Zhi-feng¹

Affiliation:

1. Contribution from the Department of Chemistry, The Chinese University of Hong Kong, Shatin, Hong Kong, China

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja0019023

Reference48 articles.

1. 3-Nitro-1,2,4-triazol-5-one, a less sensitive explosive

2. Thermal decomposition of energetic materials 65. Conversion of insensitive explosives (NTO, ANTA) and related compounds to polymeric melon-like cyclic azine burn-rate suppressants

3. Thermal Decomposition of Energetic Materials. 68. Decomposition and Sublimation Kinetics of NTO and Evaluation of Prior Kinetic Data

4. Thermal Decomposition of Energetic Materials. 66. Kinetic Compensation Effects in HMX, RDX, and NTO

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