Study of electronic structure and dynamics of interacting free radicals influenced by water

Journal of Chemical Physics

Volumn 130, Issue 12, 2009, Pages

  Du, Shiyu ^a   Francisco, Joseph S ^a   Kais, Sabre ^a  

^a PURDUE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DYNAMICS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; FREE RADICAL REACTIONS; GAS DYNAMICS; GASES; MOLECULAR DYNAMICS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; REACTION KINETICS;

AB INITIO AND DENSITY FUNCTIONAL CALCULATIONS; AB INITIO MOLECULAR DYNAMICS; DIANIONS; EARLY PREDICTIONS; GAS-PHASE; MOLECULAR DI-ANIONS; PRESENCE OF WATERS; SEPARATION DISTANCES; SIMPLE MODEL CALCULATIONS; STRUCTURE AND DYNAMICS; TIME-SCALE;

FREE RADICALS;

EID: 63649091311     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3100549     Document Type: Article

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