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Density Functional Theory Based Investigation of (2E)-1-(Anthracen-9-yl)-3-(3,4-Dichlorophenyl)Prop-2-En-1-One


R. K. Dongare
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DFT/B3LYP method has been employed to study recently synthesized (2E)-1-(Anthracen-9-yl)-3-(3,4-dichlorophenyl)prop-2-en-1-one. In the present work, the calculated values, i.e. geometric parameters, mulliken charges, frontier orbital analysis, dipole moments and QSAR properties are reported.

R. K. Dongare


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Publication Details

Published in : Volume 4 | Issue 3 | January-February - 2018
Date of Publication Print ISSN Online ISSN
2018-01-22 2395-1990 2394-4099
Page(s) Manuscript Number   Publisher
10-13 IJSRSET184304   Technoscience Academy

Cite This Article

R. K. Dongare, "Density Functional Theory Based Investigation of (2E)-1-(Anthracen-9-yl)-3-(3,4-Dichlorophenyl)Prop-2-En-1-One", International Journal of Scientific Research in Science, Engineering and Technology(IJSRSET), Print ISSN : 2395-1990, Online ISSN : 2394-4099, Volume 4, Issue 3, pp.10-13, January-February-2018.
URL : http://ijsrset.com/IJSRSET184304.php


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