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Title: Secondary channels in the thermal decomposition of monomethylhydrazine (CH 3 NHNH 2 )

Abstract

The possible role of molecular decomposition channels in MMH is explored through additional investigations on triplet channels, roaming radical channels, and previously unexplored pathways on the potential energy surface.

Authors:
 [1];  [2];  [2];  [3];  [3]
  1. Department of Mechanical Engineering; The Hong Kong Polytechnic University; Hong Kong
  2. Chemical Sciences and Engineering Division; Argonne National Laboratory; Argonne, USA
  3. Department of Mechanical and Aerospace Engineering; Princeton University; Princeton, USA
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Combustion Energy Frontier Research Center (CEFRC); Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science - Office of Basic Energy Sciences - Chemical Sciences, Geosciences, and Biosciences Division
OSTI Identifier:
1396037
DOE Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article
Journal Name:
RSC Advances
Additional Journal Information:
Journal Volume: 4; Journal Issue: 108; Journal ID: ISSN 2046-2069
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; ab initio; decomposition; intersystem crossing; kinetics; master equation; monomethydrazine; roaming reaction; theory; training state theory

Citation Formats

Zhang, Peng, Klippenstein, Stephen J., Harding, Lawrence B., Sun, Hongyan, and Law, Chung K. Secondary channels in the thermal decomposition of monomethylhydrazine (CH 3 NHNH 2 ). United States: N. p., 2014. Web. doi:10.1039/c4ra13131b.
Zhang, Peng, Klippenstein, Stephen J., Harding, Lawrence B., Sun, Hongyan, & Law, Chung K. Secondary channels in the thermal decomposition of monomethylhydrazine (CH 3 NHNH 2 ). United States. doi:10.1039/c4ra13131b.
Zhang, Peng, Klippenstein, Stephen J., Harding, Lawrence B., Sun, Hongyan, and Law, Chung K. Wed . "Secondary channels in the thermal decomposition of monomethylhydrazine (CH 3 NHNH 2 )". United States. doi:10.1039/c4ra13131b.
@article{osti_1396037,
title = {Secondary channels in the thermal decomposition of monomethylhydrazine (CH 3 NHNH 2 )},
author = {Zhang, Peng and Klippenstein, Stephen J. and Harding, Lawrence B. and Sun, Hongyan and Law, Chung K.},
abstractNote = {The possible role of molecular decomposition channels in MMH is explored through additional investigations on triplet channels, roaming radical channels, and previously unexplored pathways on the potential energy surface.},
doi = {10.1039/c4ra13131b},
journal = {RSC Advances},
issn = {2046-2069},
number = 108,
volume = 4,
place = {United States},
year = {2014},
month = {1}
}

Works referenced in this record:

Density‐functional thermochemistry. III. The role of exact exchange
journal, April 1993

  • Becke, Axel D.
  • The Journal of Chemical Physics, Vol. 98, Issue 7, p. 5648-5652
  • DOI: 10.1063/1.464913