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

Authors(1) :-R. K. Dongare

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.

Authors and Affiliations

R. K. Dongare
Department of Chemistry, Ahmednagar College, Ahmednagar, Maharashtra, India

DFT, B3LYP, QSAR

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Publication Details

Published in : Volume 4 | Issue 3 | January-February 2018
Date of Publication : 2018-01-22
License:  This work is licensed under a Creative Commons Attribution 4.0 International License.
Page(s) : 10-13
Manuscript Number : IJSRSET184304
Publisher : Technoscience Academy

Print ISSN : 2395-1990, Online ISSN : 2394-4099

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

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