A Theoretical Study of the Decomposition Mechanisms in Substituted o-Nitrotoluenes-Reference-Cited by-同舟云学术

A Theoretical Study of the Decomposition Mechanisms in Substituted o-Nitrotoluenes

Published:2009-10-19 Issue:48 Volume:113 Page:13621-13627
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Fayet Guillaume¹,Joubert Laurent¹,Rotureau Patricia¹,Adamo Carlo¹

Affiliation:

1. Laboratoire d’Electrochimie, Chimie des Interfaces et Modélisation pour l’Energie, CNRS UMR-7575, Ecole Nationale Supérieure de Chimie de Paris—Chimie ParisTech, 11 rue P. et M. Curie, F-75231 Paris Cedex 05 France, and Institut National de l’Environnement Industriel et des Risques, (INERIS), Parc Technologique Alata, BP2, 60550 Verneuil-en-Halatte, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp905979w

Reference56 articles.

1. Why Reactions Run Away

2. Runaway Reaction Hazards in Processing Organic Nitro Compounds

3. Integrating process safety with molecular modeling-based risk assessment of chemicals within the REACH regulatory framework: Benefits and future challenges

4. On the estimation of hazard potential for chemical substances

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