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Analyzing Toxicity Through Electrophilicity
Authors:D R Roy  U Sarkar  P K Chattaraj  A Mitra  J Padmanabhan  R Parthasarathi  V Subramanian  S Van Damme  P Bultinck
Institution:(1) Department of Chemistry, Indian Institute of Technology, Kharagpur, 721302, India;(2) B. C. Roy Technology Hospital, Indian Institute of Technology, Kharagpur, 721302, India;(3) Chemical Laboratory, Central Leather Research Institute, Adyar, Chennai, 600 020, India;(4) Department of Inorganic and Physical Chemistry, Ghent University, Gent, Krijgslaan 281, B-9000, Belgium
Abstract:
Keywords:toxicity  polychlorinated dibenzofurans  DFT  electrophilicity  charge transfer  QSAR
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