Consequence of one-electron oxidation and one-electron reduction for aniline

Journal of Molecular Modeling

Volumn 17, Issue 12, 2011, Pages 3229-3239

  Raczynska, Ewa D ^a   Stepniewski, Tomasz M ^a   Kolczynska, Katarzyna ^a  

^a WARSAW UNIVERSITY OF LIFE SCIENCES   (Poland)

Author keywords

Electron delocalization; Aniline; Charged radicals; DFT; One electron oxidation; One electron reduction; Prototropy

Indexed keywords

ADENINE; ANILINE; CYTOSINE; ENAMINE; GUANINE;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL STRUCTURE; ELECTRON; ISOMER; OXIDATION KINETICS; PRIORITY JOURNAL; PROTON TRANSPORT; QUANTUM MECHANICS; REDUCTION KINETICS; TAUTOMER;

ADENINE; ANILINE COMPOUNDS; CHEMISTRY, ORGANIC; CYTOSINE; ELECTRONS; GUANINE; IMINES; ISOMERISM; MOLECULAR MIMICRY; MOLECULAR STRUCTURE; OXIDATION-REDUCTION; QUANTUM THEORY; THERMODYNAMICS;

EID: 84855656144     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1001-z     Document Type: Article

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