Quasiclassical trajectory calculations of the H + O2 and O + OH reactions on spectroscopically accurate modified DMBE IV PESs

Journal of Molecular Structure: THEOCHEM

Volumn 946, Issue 1-3, 2010, Pages 2-6

  Rio, Carolina M A ^a,b   Wang, Wenli ^a,b   Brandão, João ^a,b  

^a CIQA Centro de Investigação em Química do Algarve   (Portugal)

^b UNIVERSITY OF ALGARVE   (Portugal)

Author keywords

Hydroperoxyl radical; Potential energy surfaces; Reaction dynamics; Vibro rotational spectra

Indexed keywords

EID: 77649182958     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2010.01.001     Document Type: Article

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