Evaluation of the chemical reactivity in lignin precursors using the Fukui function

Journal of Molecular Modeling

Volumn 14, Issue 2, 2008, Pages 77-81

  Martinez, Carmen ^a   Rivera, José L ^a   Herrera, Rafael ^a   Rico, José L ^a   Flores, Nelly ^a   Rutiaga, José G ^a   López, Pablo ^a  

^a UNIVERSIDAD MICHOACANA DE SAN NICOLÁS DE HIDALGO   (Mexico)

Author keywords

DFT; Fukui function; Intrinsic Reactivity; Lignin; Monolignols

Indexed keywords

4 COUMAROL; ACID; BASE; CARBON; CINNAMYL ALCOHOL; CONIFEROL; FREE RADICAL; LIGNIN; SINAPOL; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL BOND; CHEMICAL ENGINEERING; CHEMICAL INTERACTION; CHEMICAL REACTION; DENSITY FUNCTIONAL THEORY; PRIORITY JOURNAL;

EID: 38349014206     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-007-0253-0     Document Type: Article

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