Quantum chemical and conventional TST calculations of rate constants for the OH + alkane reaction

Chemical Physics

Volumn 310, Issue 1-3, 2005, Pages 213-223

  Bravo Pérez, Graciela ^a   Alvarez Idaboy, J Raúl ^a   Jiménez, Annia Galano ^a   Cruz Torres, Armando ^a  

^a INSTITUTO MEXICANO DEL PETRÓLEO   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

ALKANE; BUTANE; ETHANE; HYDROXIDE; ISOBUTYLENE; METHANE; PROPANE;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHEMICAL REACTION KINETICS; CHEMICAL STRUCTURE; CONVENTIONAL TRANSITION STATE THEORY; DATA ANALYSIS; DENSITY FUNCTIONAL THEORY; QUANTUM CHEMISTRY; QUANTUM THEORY; STRUCTURE ANALYSIS;

EID: 13844296817     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2004.10.031     Document Type: Article

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