QSPR studies on the physicochemical properties of polybrominated diphenyl ethers using theoretical descriptors derived from electrostatic potentials on molecular surface

Huanjing Kexue/Environmental Science

Volumn 29, Issue 2, 2008, Pages 398-408

  Xu, Hui Ying ^a   Zhang, Jian Ying ^b   Wang, Yan Hua ^a   Li, Li ^a  

^a ZHEJIANG SHUREN UNIVERSITY   (China)

^b ZHEJIANG UNIVERSITY   (China)

Author keywords

Ab initio; Molecular electrostatic potential; Polybrominated diphenyl ethers (PBDEs); QSPR

Indexed keywords

ETHER DERIVATIVE; POLYBROMINATED BIPHENYL;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; PHYSICAL CHEMISTRY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATIC ELECTRICITY; SURFACE PROPERTY;

CHEMISTRY, PHYSICAL; ETHERS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; POLYBROMINATED BIPHENYLS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STATIC ELECTRICITY; SURFACE PROPERTIES;

EID: 40049104327     PISSN: 02503301     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (33)