A quantum chemistry study of diethynylbenzene macrocycles: Structural and electronic properties

Journal of Molecular Structure: THEOCHEM

Volumn 861, Issue 1-3, 2008, Pages 7-13

  Zhao, Jianwei ^a   Li, Yanwei ^b   Liu, Hongmei ^a   Li, Peng ^a   Yin, Geping ^b  

^a NANJING UNIVERSITY   (China)

^b GUILIN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

DFT; Electronic structure; Geometric structure; Ionic state; Macrocycles

Indexed keywords

EID: 45449110266     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.03.031     Document Type: Article

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