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Chemical reactivity analysis on 33′44′55′-hexa chlorobiphenyl—A DFT approach |
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| Authors: | J. Padmanabhan R. Parthasarathi V. Subramanian P.K. Chattaraj |
| Affiliation: | aChemical Laboratory, Central Leather Research Institute, Adyar, Chennai 600 020, India bDepartment of Chemistry, Indian Institute of Technology, Kharagpur 721302, India |
| Abstract: | |
| Keywords: | DFT Chemical hardness Electrophilicity Charge transfer PCB HCBP Toxicity |
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