A PM3-SRP + analytic function potential energy surface model for O( 3P) reactions with alkanes. Application to O( 3P) + ethane

Journal of Physical Chemistry A

Volumn 108, Issue 45, 2004, Pages 9863-9875

  Yan, Tianying ^a,d   Doubleday, Charles ^b   Hase, William L ^c  

^a WAYNE STATE UNIVERSITY   (United States)

^b Och Spine at New York Presbyterian Hospitals   (United States)

^c TEXAS TECH UNIVERSITY   (United States)

^d UNIVERSITY OF UTAH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION REACTIONS; LOW EARTH ORBIT (LEO); OXYGEN ATOMS; POTENTIAL ENERGY SURFACE (PES);

COMPUTER SIMULATION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PARAMETER ESTIMATION; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; REACTION KINETICS;

PARAFFINS;

EID: 8744305853     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp048150+     Document Type: Article

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