Prediction of hydroxyl substitution Site(s) of phenol, monochlorophenols and 4-chloronitrobenzene by atomic charge distribution calculations

Bulletin of the Korean Chemical Society

Volumn 30, Issue 4, 2009, Pages 787-790

  Lee, Byung Dae ^b   Lee, Min Joo ^a  

^a Changwon National University   (South Korea)

^b Uiduk University   (South Korea)

Author keywords

Atomic charge distribution; CHelpG; Hydroxyl radical reaction; MK

Indexed keywords

4-CHLOROPHENOLS; ATOMIC CHARGE; ATOMIC CHARGE DISTRIBUTION; ATOMIC CHARGE DISTRIBUTIONS; CARBON ATOMS; CHELPG; CHLORONITROBENZENES; DFT CALCULATION; HYDROXYL RADICAL REACTION; HYDROXYL SUBSTITUTION; MK; MONOCHLOROPHENOLS; OH REACTION; OXIDATION REACTIONS; RADICAL REACTIONS; STRUCTURAL PARAMETER;

ATOMS; CHARGE DISTRIBUTION; PHENOLS; REACTION KINETICS;

CHARGED PARTICLES;

EID: 70349759382     PISSN: 02532964     EISSN: 12295949     Source Type: Journal    
DOI: 10.5012/bkcs.2009.30.4.787     Document Type: Article

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