Theoretical evaluation of isotopic fractionation factors in oxidation reactions of benzene, phenol and chlorophenols

Journal of Molecular Modeling

Volumn 17, Issue 9, 2011, Pages 2285-2296

  Adamczyk, Paweł ^a   Paneth, Piotr ^a  

^a LODZ UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

Aromatic pollutants; CSIA; DFT; Isotopic fractionation; Permanganate

Indexed keywords

BENZENE; CARBON; CHLOROPHENOL; OXYGEN; OZONE; PERCHLORATE; PERMANGANATE POTASSIUM; PHENOL;

AQUEOUS SOLUTION; CHEMICAL ENVIRONMENT; CHEMICAL REACTION KINETICS; CONFERENCE PAPER; CONTROLLED STUDY; FRACTIONATION; GAS; ISOTOPIC FRACTIONATION; OXIDATION; PRIORITY JOURNAL; PROTON TRANSPORT; SUBSTITUTION REACTION; THEORETICAL STUDY;

EID: 84961981997     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1038-z     Document Type: Conference Paper

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