Synthesis, vibrational spectra, DFT calculations, Hirshfeld surface analysis and molecular docking study of 3-chloro-3-methyl-2,6- diphenylpiperidin-4-one

10.1016/j.saa.2020.118166

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Bibliographic Details
Main Authors:	RAMALINGAM ARULRAJ, S. Sivakumar, S.Suresh, K. Anitha
Other Authors:	DEPT OF ELECTRICAL & COMPUTER ENGG
Format:	Article
Published:	Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2020
Subjects:	Piperidin-4-one; DFT; Hydrogen bonds; B3LYP/6-31+G(d,p); Molecular orbitals; Hirshfeld surface and fingerprint plots; Molecular docking study
Online Access:	https://scholarbank.nus.edu.sg/handle/10635/165266
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Institution:	National University of Singapore

id	sg-nus-scholar.10635-165266
record_format	dspace
spelling	sg-nus-scholar.10635-1652662023-11-01T08:28:17Z Synthesis, vibrational spectra, DFT calculations, Hirshfeld surface analysis and molecular docking study of 3-chloro-3-methyl-2,6- diphenylpiperidin-4-one RAMALINGAM ARULRAJ S. Sivakumar S.Suresh K. Anitha DEPT OF ELECTRICAL & COMPUTER ENGG Piperidin-4-one; DFT; Hydrogen bonds; B3LYP/6-31+G(d,p); Molecular orbitals; Hirshfeld surface and fingerprint plots; Molecular docking study 10.1016/j.saa.2020.118166 232 118166 1-15 2020-03-10T02:12:09Z 2020-03-10T02:12:09Z 2020-02-19 Article RAMALINGAM ARULRAJ, S. Sivakumar, S.Suresh, K. Anitha (2020-02-19). Synthesis, vibrational spectra, DFT calculations, Hirshfeld surface analysis and molecular docking study of 3-chloro-3-methyl-2,6- diphenylpiperidin-4-one 232 (118166) : 1-15. ScholarBank@NUS Repository. https://doi.org/10.1016/j.saa.2020.118166 1386-1425 https://scholarbank.nus.edu.sg/handle/10635/165266 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
institution	National University of Singapore
building	NUS Library
continent	Asia
country	Singapore Singapore
content_provider	NUS Library
collection	ScholarBank@NUS
topic	Piperidin-4-one; DFT; Hydrogen bonds; B3LYP/6-31+G(d,p); Molecular orbitals; Hirshfeld surface and fingerprint plots; Molecular docking study
spellingShingle	Piperidin-4-one; DFT; Hydrogen bonds; B3LYP/6-31+G(d,p); Molecular orbitals; Hirshfeld surface and fingerprint plots; Molecular docking study RAMALINGAM ARULRAJ S. Sivakumar S.Suresh K. Anitha Synthesis, vibrational spectra, DFT calculations, Hirshfeld surface analysis and molecular docking study of 3-chloro-3-methyl-2,6- diphenylpiperidin-4-one
description	10.1016/j.saa.2020.118166
author2	DEPT OF ELECTRICAL & COMPUTER ENGG
author_facet	DEPT OF ELECTRICAL & COMPUTER ENGG RAMALINGAM ARULRAJ S. Sivakumar S.Suresh K. Anitha
format	Article
author	RAMALINGAM ARULRAJ S. Sivakumar S.Suresh K. Anitha
author_sort	RAMALINGAM ARULRAJ
title	Synthesis, vibrational spectra, DFT calculations, Hirshfeld surface analysis and molecular docking study of 3-chloro-3-methyl-2,6- diphenylpiperidin-4-one
title_short	Synthesis, vibrational spectra, DFT calculations, Hirshfeld surface analysis and molecular docking study of 3-chloro-3-methyl-2,6- diphenylpiperidin-4-one
title_full	Synthesis, vibrational spectra, DFT calculations, Hirshfeld surface analysis and molecular docking study of 3-chloro-3-methyl-2,6- diphenylpiperidin-4-one
title_fullStr	Synthesis, vibrational spectra, DFT calculations, Hirshfeld surface analysis and molecular docking study of 3-chloro-3-methyl-2,6- diphenylpiperidin-4-one
title_full_unstemmed	Synthesis, vibrational spectra, DFT calculations, Hirshfeld surface analysis and molecular docking study of 3-chloro-3-methyl-2,6- diphenylpiperidin-4-one
title_sort	synthesis, vibrational spectra, dft calculations, hirshfeld surface analysis and molecular docking study of 3-chloro-3-methyl-2,6- diphenylpiperidin-4-one
publisher	Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
publishDate	2020
url	https://scholarbank.nus.edu.sg/handle/10635/165266
_version_	1781791922310873088

Synthesis, vibrational spectra, DFT calculations, Hirshfeld surface analysis and molecular docking study of 3-chloro-3-methyl-2,6- diphenylpiperidin-4-one

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