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R. Arulraj
R. Arulraj
National University of Singapore
Density functional theory
Chemistry
Cyclohexane conformation
Crystallography
Triclinic crystal system
4
Papers
17
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Hirshfeld surface analysis, Interaction energy calculation and spectroscopical study of 3-chloro-3-methyl-r(2),c(6)-bis(p-tolyl)piperidin-4-one using DFT approaches
2022
Journal of Molecular Structure
R. Arulraj
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Citations (1)
Synthesis, in vitro and in silico antitumor evaluation of 3-(2,6-dichlorophenyl)-1,5-diphenylpentane-1,5-dione: Structure, spectroscopic, RDG, Hirshfeld and DFT based analyses
2021
Journal of Molecular Structure
A. Dhandapani
S. Veeramanikandan
Raju Suresh Kumar
Abdulrahman I. Almansour
Natarajan Arumugam
S. Subashchandrabose
J. Suresh
R. Arulraj
D. Gajalakshmi
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Synthesis, vibrational spectra, DFT calculations, Hirshfeld surface analysis and molecular docking study of 3-chloro-3-methyl-2,6-diphenylpiperidin-4-one
2020
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
R. Arulraj
S. Sivakumar
S. Suresh
K. Anitha
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Synthesis, crystal structure, DFT calculations and Hirshfeld surface analysis of 3-butyl-2,6-bis(4-fluorophenyl)piperidin-4-one
2020
Acta Crystallographica Section E: Crystallographic Communications
K. Anitha
S. Sivakumar
R. Arulraj
K. Rajkumar
Manpreet Kaur
Jerry P. Jasinski
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Citations (3)
1