Comparative molecular field analysis of heterocyclic monoazo dye-fiber affinities

Journal of Chemical Information and Computer Sciences

Volumn 38, Issue 6, 1998, Pages 1218-1222

  Timofei, Simona ^a   Fabian, Walter M F ^b  

^a ACADEMY OF ROMANIAN SCIENTISTS   (Romania)

^b UNIVERSITY OF GRAZ   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CELLULOSE; COMPUTER SIMULATION; COMPUTER SOFTWARE; ELECTRONIC PROPERTIES; ELECTROSTATICS; HYDROGEN BONDS; MOLECULES; NUMERICAL METHODS; QUANTUM THEORY;

CELLULOSE BINDING; COMPARATIVE MOLECULAR FIELD ANALYSIS; ELECTROSTATIC INTERACTIONS; HETEROCYCLIC MONOAZO DYE; ORBITAL MOLECULAR ENERGY; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; SEMIEMPIRICAL MOLECULAR ORBITAL; STRUCTURAL PROPERTIES;

AZO DYES;

EID: 0032202561     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci9704367     Document Type: Review

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