Theoretical studies of hydrogen abstraction from 2-propanol by OH radical

Journal of Physical Chemistry A

Volumn 101, Issue 5, 1997, Pages 926-936

  Luo, Ning ^a   Kombo, David C ^a,b   Osman, Roman ^a  

^a CITY UNIVERSITY OF NEW YORK   (United States)

^b WESLEYAN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL REACTIONS; HYDROGEN; HYDROGEN BONDS; MOLECULAR STRUCTURE; OPTIMIZATION; REACTION KINETICS;

AB INITIO QUANTUM CHEMICAL METHOD; CORRELATION ENERGY; HYDROGEN ABSTRACTION; HYDROXYL; KINETIC ISOTOPE EFFECT; PROPANOL; TRANSITION STRUCTURE;

ALCOHOLS;

EID: 0030737358     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp962021e     Document Type: Article

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