Substituent effects on noncovalent halogen/π interactions: Theoretical study

International Journal of Quantum Chemistry

Volumn 107, Issue 6, 2007, Pages 1479-1486

  Lu, Yun Xiang ^a,b   Zou, Jian Wei ^b   Wang, Yan Hua ^a,b   Yu, Qing Sen ^a,b  

^a ZHEJIANG UNIVERSITY   (China)

^b ZHEJIANG UNIVERSITY   (China)

Author keywords

Ab initio calculations; AIM; Halogen ; Interactions; Substituents

Indexed keywords

BENZENE; ELECTRON CORRELATIONS; ELECTRONIC DENSITY OF STATES; ENERGY GAP; SUBSTITUTION REACTIONS;

AB INITIO CALCULATIONS; ATOMS IN MOLECULES (AIM); INTERACTION ENERGY; NONCOVALENT HALOGEN;

HALOGEN COMPOUNDS;

EID: 33947583038     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21279     Document Type: Article

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