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A conceptual DFT approach towards analysing toxicity |
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| Authors: | U Sarkar D R Roy P K Chattaraj R Parthasarathi J Padmanabhan and V Subramanian |
| Institution: | (1) Department of Chemistry, Indian Institute of Technology, 721302 Kharagpur, India;(2) Chemical Laboratory, Central Leather Research Institute, Adyar, 600 020 Chennai, India |
| Abstract: | |
| Keywords: | Conceptual DFT approach toxicity structure-activity relationships polyaromatic hydrocarbons |
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