Density functional theory-based reactivity descriptors for dioxins

Molecular Physics

Volumn 100, Issue 4, 2002, Pages 423-431

  Arulmozhiraja, Sundaram ^a   Fujii, Toshihiro ^a   Sato, Gen ^b  

^a NATIONAL INSTITUTE FOR ENVIRONMENTAL STUDIES   (Japan)

^b UNIVERSITY OF TSUKUBA   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; AROMATIC HYDROCARBONS; ELECTRONS; POLARIZATION; PROBABILITY DENSITY FUNCTION; TOXICITY;

ATOMIC CHARGES;

MOLECULAR PHYSICS;

EID: 0037138914     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970110072395     Document Type: Conference Paper

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