Energetic effects between halogen bonds and anion-π or lone pair-π interactions: A theoretical study

Journal of Physical Chemistry A

Volumn 116, Issue 10, 2012, Pages 2591-2597

  Lu, Yunxiang ^a   Liu, Yingtao ^b   Li, Haiying ^a   Zhu, Xiang ^a   Liu, Honglai ^a   Zhu, Weiliang ^b  

^a EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MP2; AROMATIC RINGS; BUILDING BLOCKES; CAMBRIDGE STRUCTURAL DATABASES; ELECTRON-DEFICIENT; ENERGETIC EFFECT; EXPERIMENTAL EVIDENCE; HALOGEN BONDING; HALOGEN BONDS; LONE PAIR; THEORETICAL STUDY;

CALCULATIONS; CHARGE TRANSFER;

IONS;

ANION; HALOGEN; HALOGENATED HYDROCARBON;

ARTICLE; CHEMISTRY; CONFORMATION; QUANTUM THEORY;

ANIONS; HALOGENS; HYDROCARBONS, HALOGENATED; MOLECULAR CONFORMATION; QUANTUM THEORY;

EID: 84863358395     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp212522k     Document Type: Article

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