Theoretical study of OH-O2-isoprene peroxy radicals

Journal of Physical Chemistry A

Volumn 105, Issue 2, 2001, Pages 471-477

  Lei, Wenfang ^a   Zhang, Renyi ^a   Scan McGivern, W ^a   Derecskei Kovacs, Agnes ^a   North, Simon W ^a  

^a TEXAS A AND M UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; HYDROGEN; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; OPTIMIZATION; OXIDATION; OXYGEN; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; RATE CONSTANTS;

AB INITIO MOLECULAR ORBITALS; CANONICAL VARIATIONAL TRANSITIONAL STATE THEORY; DENSITY FUNCTIONAL THEORY; ISOPRENE; PEROXY RADICALS;

FREE RADICALS;

EID: 0035131649     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0027039     Document Type: Article

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