Thermal decomposition pathways of hydroxylamine: Theoretical investigation on the initial steps

Journal of Physical Chemistry A

Volumn 114, Issue 34, 2010, Pages 9262-9269

  Wang, Qingsheng ^a   Wei, Chunyang ^a,c   Pérez, Lisa M ^b   Rogers, William J ^a   Hall, Michael B ^b   Mannan, M Sam ^a  

^a Department of Electrical and Computer Engineering   (United States)

^b TEXAS A AND M UNIVERSITY   (United States)

^c BASF CORPORATION   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; ACTIVATION BARRIERS; AQUEOUS SOLUTIONS; BASIS SETS; BIMOLECULAR REACTION; BOND DISSOCIATION; DECOMPOSITION MECHANISM; DECOMPOSITION PATHWAY; DENSITY FUNCTIONALS; DILUTE AQUEOUS SOLUTION; EXPERIMENTAL STUDIES; INDUSTRIAL INCIDENTS; ISOMERIZATION PATHWAYS; ISOMERIZATION REACTION; POLARIZABLE CONTINUUM MODEL; ROOM TEMPERATURE; SOLVENT EFFECTS; THEORETICAL INVESTIGATIONS; THERMAL DECOMPOSITIONS; THERMAL STABILITY; UNIMOLECULAR; UNIMOLECULAR REACTIONS; UNSTABLE COMPOUNDS; WATER CLUSTER;

AMINES; CONTINUUM MECHANICS; ISOMERIZATION; ISOMERS; PYROLYSIS; SOLUTIONS; THERMODYNAMIC STABILITY;

REACTION KINETICS;

HYDROXYLAMINE; SOLVENT; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; GAS; QUANTUM THEORY; SOLUTION AND SOLUBILITY; TEMPERATURE; THERMODYNAMICS;

GASES; HYDROXYLAMINE; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; SOLUTIONS; SOLVENTS; TEMPERATURE; THERMODYNAMICS; WATER;

EID: 77956144014     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp104144x     Document Type: Article

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