Prediction of pK(a) values of phenolic and nitrogen-containing compounds by computational chemical analysis compared to those measured by liquid chromatography

Journal of Chromatography A

Volumn 762, Issue 1-2, 1997, Pages 55-61

  Hanai, T ^a   Koizumi, K ^b   Kinoshita, T ^b   Arora, R ^c   Ahmed, F ^c  

^a HEALTH RESEARCH FOUNDATION   (Japan)

^b KITASATO UNIVERSITY   (Japan)

^c PHENOMENEX INC   (United States)

Author keywords

Dissociation constants; Hammett's equation; Nitrogen containing compounds; Phenolic compounds

Indexed keywords

NITROGEN DERIVATIVE; PHENOL DERIVATIVE;

CALCULATION; CHEMICAL ANALYSIS; COMPUTER SIMULATION; CONFERENCE PAPER; PKA; PREDICTION; PRIORITY JOURNAL; REFERENCE VALUE; REVERSED PHASE HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPARATIVE STUDY; FORECASTING;

COMPUTER SIMULATION; FORECASTING; MODELS, CHEMICAL; NITROGEN COMPOUNDS; PHENOLS;

EID: 0031581667     PISSN: 00219673     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0021-9673(96)01009-6     Document Type: Conference Paper

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