Mechanism of Thermal Unimolecular Decomposition of TNT (2,4,6-Trinitrotoluene): A DFT Study-Reference-Cited by-同舟云学术

Mechanism of Thermal Unimolecular Decomposition of TNT (2,4,6-Trinitrotoluene): A DFT Study

Published:2007-10-04 Issue:43 Volume:111 Page:11074-11083
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Cohen Revital¹,Zeiri Yehuda¹,Wurzberg Elhanan¹,Kosloff Ronnie¹

Affiliation:

1. Chemical Research Support Unit, Department of Chemistry, Weizmann Institute of Science, Rehovot, 76100, Israel, Chemistry Department, NRCN, P.O. Box 9001, Beer-Sheva 84190, Israel, Rafael Intelligence and Security Directorate, P.O. Box 2250, Haifa, 31021, Israel, and Fritz Haber Center for Molecular Dynamics, Hebrew University, Jerusalem 91904, Israel

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp072121s

Reference40 articles.

1. Kinetics and mechanisms of thermal decomposition of nitroaromatic explosives

2. Thermal decomposition of energetic materials. 62. Reconciliation of the kinetics and mechanisms of TNT on the time scale from microseconds to hours

3. Influence of the substituent on the major decomposition channels of the NO2 group inpara-substituted nitrobenzenes: a tandem mass spectrometric study

4. Studies on energetic compounds Part XI: Preparation and thermolysis of polynitro organic compounds

5. Autocatalytic thermal decomposition kinetics of TNT

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