Mechanism and electronic transition in the Cl + O 3 → ClO + O 2 reaction: On the fly dynamics simulations with multi-reference potentials

Chemical Physics Letters

Volumn 535, Issue , 2012, Pages 44-48

  Kalinowski, Jaroslaw ^a   Räsänen, Markku ^a   Gerber, Robert Benny ^a,b,c  

^a UNIVERSITY OF HELSINKI   (Finland)

^b HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DYNAMICS SIMULATION; ELECTRONIC TRANSITION; MECHANISTIC STUDIES; MULTI REFERENCE; ON THE FLIES; SPIN-FLIP; STATIC REACTIONS; TIME-SCALES;

CHLORINE; DYNAMICS;

SPIN DYNAMICS;

EID: 84860307405     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2012.03.068     Document Type: Article

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