Ab initio potential energy surface, variational transition state theory, and quasiclassical trajectory studies of the F+CH4→+HF+CH 3 reaction

Journal of Chemical Physics

Volumn 120, Issue 11, 2004, Pages 5181-5191

  Troya, Diego ^a   Millán, Judith ^a   Baños, Irene ^a   González, Miguel ^b  

^a UNIVERSITY OF LA RIOJA   (Spain)

^b UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ESTIMATION; FREQUENCIES; METHANE; POTENTIAL ENERGY; RATE CONSTANTS; STEREOCHEMISTRY; SURFACE PROPERTIES; VIBRATION MEASUREMENT;

POTENTIAL ENERGY SURFACE (PES); TRANSITION STATE THEORY;

FLUORINE;

EID: 1842782520     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1637035     Document Type: Article

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