Predicting rate constants of OH radical reactions with organic substances: Advances for oxygenated organics through a molecular orbital HF/6-31G** approach

Theoretical Chemistry Accounts

Volumn 127, Issue 4, 2010, Pages 355-367

  Böhnhardt, Anna ^a,b   Kühne, Ralph ^a   Ebert, Ralf Uwe ^a   Schüürmann, Gerrit ^a,b  

^a HELMHOLTZ CENTRE FOR ENVIRONMENTAL RESEARCH UFZ   (Germany)

^b TU BERGAKADEMIE FREIBERG   (Germany)

Author keywords

Atkinson increment scheme; Atmospheric degradation; Consensus modelling; Hydroxyl radical; Molecular orbital model; MOOH method; Rate constant

Indexed keywords

EID: 77957968432     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-009-0724-8     Document Type: Article

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