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COMPARATIVE MOLECULAR-FIELD ANALYSIS (COMFA), SEMIEMPIRICAL (AM1) MOLECULAR-ORBITAL AND MULTICONFORMATIONAL MINIMAL STERIC DIFFERENCE (MTD) CALCULATIONS OF ANTHRAQUINONE DYE-FIBER AFFINITIES

Domenii publicaţii > Chimie + Tipuri publicaţii > Articol în revistã ştiinţificã

Autori: FABIAN, WMF; TIMOFEI, S; KURUNCZI, L

Editorial: Theochem-Journal of Molecular Structure , 340 , p.73-81, 1995.

Rezumat:

Cuvinte cheie: CoMFA, AM1, MTD, dye, cellulose