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Search for the Decomposition Process of 2,4,6-Trinitrotoluene by an Evolutionary Algorithm

Authors :
Takahiro Ishikawa
Koichi Kusakabe
Yuto Makino
Satoshi Sakamoto
Naoto Okuyama
Source :
The Journal of Physical Chemistry A. 126:8082-8087
Publication Year :
2022
Publisher :
American Chemical Society (ACS), 2022.

Abstract

In this paper, we explored stable states in the system of 2,4,6-trinitrotoluene (TNT) crystal with a few additional hydrogen radicals (H

Details

ISSN :
15205215 and 10895639
Volume :
126
Database :
OpenAIRE
Journal :
The Journal of Physical Chemistry A
Accession number :
edsair.doi.dedup.....31423b5bf6066930eee7e1bc34fb5656
Full Text :
https://doi.org/10.1021/acs.jpca.2c04913