A theoretical study on the potential energy surface of the 3C2 + NO reaction

Journal of Physical Chemistry A

Volumn 108, Issue 32, 2004, Pages 6771-6777

  Wei, Zhi Gang ^a   Huang, Xu Ri ^a   Zhang, Shao Wen ^b   Sun, Yan Bo ^a   Qian, Hu Jun ^a   Sun, Chia Chung ^a  

^a JILIN UNIVERSITY   (China)

^b BEIJING INSTITUTE OF TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; CHEMICAL REACTIONS; COMBUSTION; COMPUTATIONAL METHODS; CONCENTRATION (PROCESS); ENTHALPY; INTERFACIAL ENERGY; ISOMERS; MOLECULAR BEAMS; NITROGEN OXIDES; OPTIMIZATION;

INTRINSIC REACTION COORDINATES (IRC); POTENTIAL ENERGY SURFACES (PES); STRUCTURAL PARAMETERS; TRANSITION STATES;

POTENTIAL ENERGY;

EID: 4344633840     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp048868p     Document Type: Article

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