Effect of aqueous environment in chemical reactivity of monolignols. A New Fukui Function Study

Journal of Molecular Graphics and Modelling

Volumn 28, Issue 2, 2009, Pages 196-201

  Martínez, Carmen ^a   Sedano, Miriam ^a   Mendoza, Jorge ^a   Herrera, Rafael ^a   Rutiaga, Jose G ^a   Lopez, Pablo ^a  

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

Author keywords

DFT; Free radicals; Fukui function; Intrinsic reactivity; Lignin; Monolignols

Indexed keywords

CHEMICAL REACTIVITY; FREE RADICAL REACTIONS; LIGNIN; PROBABILITY DENSITY FUNCTION; RESONANCE;

AQUEOUS ENVIRONMENT; DFT; ELECTROPHILIC SPECIES; FUKUI FUNCTION; FUKUI FUNCTIONS; GASPHASE; INTRINSIC REACTIVITY; MONOLIGNOLS; RESONANCE STRUCTURE;

FREE RADICALS;

FREE RADICAL; LIGNIN; MONOLIGNOL DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL REACTION; CHEMICAL STRUCTURE; ELECTRON; MATHEMATICAL ANALYSIS; PRIORITY JOURNAL;

EID: 84962349378     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2009.07.002     Document Type: Article

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