Computational studies on biphenyl derivatives. Analysis of the conformational mobility, molecular electrostatic potential, and dipole moment of chlorinated biphenyl: Searching for the rationalization of the selective toxicity of polychlorinated biphenyls (PCBs)

Chemical Research in Toxicology

Volumn 15, Issue 12, 2002, Pages 1514-1526

  Chana, Antonio ^a   Concejero, Miguel A ^a   De Frutos, Mercedes ^a   González, María J ^a   Herradón, Bernardo ^a  

^a INSTITUTO DE QUÍMICA ORGÁNICA GENERAL   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BIPHENYL DERIVATIVE; CHLORINE; POLYCHLORINATED BIPHENYL;

AB INITIO CALCULATION; ADIPOSE TISSUE; ARTICLE; CHEMICAL STRUCTURE; CHLORINATION; CONFORMATION; DIPOLE; ELECTRICITY; GEOMETRY; MOLECULAR DYNAMICS; SIMULATION;

EID: 84962448835     PISSN: 0893228X     EISSN: None     Source Type: Journal    
DOI: 10.1021/tx025596d     Document Type: Article

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