Direct Ab initio MD study on the electron capture dynamics of hydroperoxy radical (HOO)-water complexes

Journal of Physical Chemistry A

Volumn 114, Issue 14, 2010, Pages 4951-4956

  Tachikawa, Hiroto ^a  

^a HOKKAIDO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ACTIVATION BARRIERS; ELECTRON CAPTURE; HYDROPEROXY RADICAL; MOLECULAR DYNAMICS METHODS; POLAR STRATOSPHERIC CLOUDS; REACTION MECHANISM; STABLE COMPLEXES; THEORETICAL RESULT; TIME-SCALES; WATER CLUSTER; WATER COMPLEXES; WATER MOLECULE;

DENSITY FUNCTIONAL THEORY; DYNAMICS; HYDRATES; HYDRATION; MOLECULAR DYNAMICS; PROTONS; REACTION KINETICS;

ELECTRONS;

EID: 77950657692     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp100588z     Document Type: Article

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