Simulation of chromatography of phenolic compounds with a computational chemical method

Journal of Chromatography A

Volumn 1027, Issue 1-2, 2004, Pages 279-287

  Hanai, Toshihiko ^a  

^a HEALTH RESEARCH FOUNDATION   (Japan)

Author keywords

Computer simulation; Dissociation constants; Molecular interactions; Octanol water partition coefficients; Phenolic compounds; Retention prediction; Structure retention relationships

Indexed keywords

ALCOHOLS; COMPUTATIONAL METHODS; DISSOCIATION; PHENOLS; WATER;

MOLECULAR INTERACTION ENERGY; MOLECULAR MECHANICS;

LIQUID CHROMATOGRAPHY;

PHENOL DERIVATIVE;

AB INITIO CALCULATION; ACCURACY; ATOMIC PARTICLE; CALCULATION; COMPUTER PREDICTION; COMPUTER SIMULATION; CONFERENCE PAPER; DISSOCIATION CONSTANT; ELECTRIC ACTIVITY; MOLECULAR INTERACTION; MOLECULAR MECHANICS; PARTITION COEFFICIENT; PH MEASUREMENT; PRIORITY JOURNAL; REVERSED PHASE LIQUID CHROMATOGRAPHY;

EID: 0346023060     PISSN: 00219673     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chroma.2003.08.085     Document Type: Conference Paper

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