Theoretical investigation on the geometric, spectroscopic, nonlinear optical parameter, and frontier molecular orbital of 1,3-bis(4-methoxyphenyl)prop-2-en-1-one by DFT/ab initio calculations

Author: Zhang Rui-Zhou   Zhang Xian-Zhou  

Publisher: NRC Research Press

ISSN: 1480-3291

Source: Canadian Journal of Chemistry, Vol.91, Iss.12, 2013-01, pp. : 1225-1232

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Abstract