Origin of the cis-effect: A density functional theory study of doubly substituted ethylenes

Wuli Huaxue Xuebao/ Acta Physico - Chimica Sinica

Volumn 29, Issue 1, 2013, Pages 43-54

  Zhao, Dong Bo ^a,b   Rong, Chun Ying ^a,b   Jenkins, Samantha ^a,b   Kirk, Steven R ^a,b   Yin, Du Lin ^a,b   Liu, Shu Bin ^a,b,c  

^a BEIJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

^b HUNAN NORMAL UNIVERSITY   (China)

^c UNIVERSITY OF NORTH CAROLINA   (United States)

Author keywords

Cis effect; Density functional theory; Natural bond orbital analysis; Non covalent interaction; Steric effect

Indexed keywords

EID: 84871744175     PISSN: 10006818     EISSN: None     Source Type: Journal    
DOI: 10.3866/PKU.WHXB201211121     Document Type: Article

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