Enone-dienol tautomerism of but-2-enal and substituent effect: A theoretical study

Journal of Molecular Structure: THEOCHEM

Volumn 755, Issue 1-3, 2005, Pages 31-37

  Wang, Yan Hua ^a,b   Zou, Jian Wei ^b   Zhang, Bing ^b   Lu, Yun Xiang ^b   Jin, Hai Xiao ^b   Yu, Qing Sen ^b  

^a ZHEJIANG SHUREN UNIVERSITY   (China)

^b ZHEJIANG UNIVERSITY   (China)

Author keywords

Ab initio calculation; But 2 enal; Density functional theory; Enone dienol tautomerism; Substituent effect

Indexed keywords

EID: 28944436213     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.06.029     Document Type: Article

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