Theoretical study on the mechanism of the NCO + HCNO reaction

Journal of Physical Chemistry A

Volumn 111, Issue 30, 2007, Pages 7211-7217

  Li, Bu Tong ^a   Zhang, Jian ^a   Wu, Hai Shun ^a   Sun, Guang Dong ^b  

^a SHANXI NORMAL UNIVERSITY   (China)

^b JILIN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

HIGH TEMPERATURE EFFECTS; KINETICS; LOW TEMPERATURE EFFECTS; PHASE TRANSITIONS; POTENTIAL ENERGY SURFACES; THERMODYNAMICS;

POTENTIAL SURFACE; SINGLE-POINT ENERGY CALCULATIONS; TRANSITION STATES;

ISOMERS;

CARBON MONOXIDE; HYDROGEN CYANIDE; NITROGEN; NITROGEN OXIDE;

ALGORITHM; ARTICLE; CHEMISTRY; KINETICS; THEORETICAL MODEL; THERMODYNAMICS;

ALGORITHMS; CARBON MONOXIDE; HYDROGEN CYANIDE; KINETICS; MODELS, THEORETICAL; NITROGEN; NITROGEN OXIDES; THERMODYNAMICS;

EID: 34548292959     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp072637b     Document Type: Article

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