A conceptual DFT approach towards analysing toxicity

Journal of Chemical Sciences

Volumn 117, Issue 5, 2005, Pages 599-612

  Sarkar, U ^a   Roy, D R ^a   Chattaraj, P K ^a   Parthasarathi, R ^b   Padmanabhan, J ^b   Subramanian, V ^b  

^a INDIAN INSTITUTE OF TECHNOLOGY   (India)

^b CENTRAL LEATHER RESEARCH INSTITUTE   (India)

Author keywords

Conceptual DFT approach; Polyaromatic hydrocarbons; Structure activity relationships; Toxicity

Indexed keywords

DERIVATIVES; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION;

CONCEPTUAL DFT APPROACH; POLYAROMATIC HYDROCARBONS; STRUCTURE-ACTIVITY RELATIONSHIP;

TOXICITY;

EID: 27844557345     PISSN: 02534134     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF02708367     Document Type: Article

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