A theoretical study of solvent effects on Kolbe-Schmitt reaction kinetics

Chemical Engineering Science

Volumn 61, Issue 18, 2006, Pages 6199-6212

  Stanescu, Ioana ^a   Achenie, Luke E K ^a  

^a UNIVERSITY OF CONNECTICUT   (United States)

Author keywords

Computer aided molecular design; Conventional transition state theory; Density functional theory; Kolbe Schmitt reaction; Rate constant; Solvent design

Indexed keywords

PERMITTIVITY; PROBABILITY DENSITY FUNCTION; RATE CONSTANTS; SOLVENTS;

COMPUTER AIDED MOLECULAR DESIGN; CONVENTIONAL TRANSITION STATE THEORY; DENSITY FUNCTIONAL THEORY; KOLBE-SCHMITT REACTION; SOLVENT DESIGN;

CHEMICAL ENGINEERING;

CHEMICAL ENGINEERING; PERMITTIVITY; PROBABILITY DENSITY FUNCTION; RATE CONSTANTS; SOLVENTS;

EID: 33746289581     PISSN: 00092509     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ces.2006.05.025     Document Type: Article

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