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Journal of Molecular Structure: THEOCHEM

Volumn 758, Issue 1, 2006, Pages 53-60

Kinetic study of the hydrogen abstraction reaction H2O 2+H→H2+HO2 by ab initio and density functional theory calculations

(4) Tarchouna, Y a Bahri, M a,b Jaidane N a Lakhdar, Z Ben a

a UNIVERSITY OF TUNIS EL MANAR (Tunisia)

b Faculté des Sciences de Sfax (Tunisia)

Author keywords

Ab initio; DFT; Hydrogen atom; Hydrogen peroxide; TST

Indexed keywords

EID: 30944456912 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/j.theochem.2005.10.003 Document Type: Article

Times cited : (13)

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