D. Manimaran
www.researchgate.net
0000-0003-4025-8535
Mar Ivanios College
18 papers found
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Spectral, structural and theoretical studies of α‒methyl trans cinnamaldehyde semicarbazone
Synthesis, Hirshfeld surface analysis, laser damage threshold, third-order nonlinear optical property and DFT computation studies of Dichlorobis(DL-valine)zinc(II): A spectroscopic approach
Studies on Molecular Structure and Vibrational Spectra of NLO Crystal L-Glutamine Oxalate by DFT Method
Molecular docking and structural analysis of non-opioid analgesic drug acemetacin with halogen substitution: A DFT approach
Vibrational and electronic profiles, molecular docking and biological prediction of 5-methoxy-1-[(5-methoxy-1H-indol-2-yl)methyl]-1H-indole: Experimental and theoretical investigations
Structure and Nonlinear Optical Properties Study of 2-Amino-5-Chlorobenzophenone: (A Spectroscopic Approach)
Spectroscopic Investigations, DFT Calculations, and Molecular Docking Studies of the Anticonvulsant (2E)-2-[3-(1H-Imidazol-1-yl)-1-phenylpropylidene]-N-(4-methylphenyl)hydrazinecarboxamide
Structural Properties and Biological Prediction of ({[(1E)-3-(1H-Imidazol-1-yl)-1-phenylpropylidene] amino}oxy)(4-methylphenyl)methanone: An In Silico Approach
Synthesis, vibrational spectral analysis and nonlinear optical property of Sarcosinium Succinate by DFT studies
FT-IR and Raman spectroscopic and DFT studies of anti-cancer active molecule N-{(meta-ferrocenyl) Benzoyl} – l-Alanine – Glycine ethyl ester
Structure and nonlinear optical property analysis of l-Methioninium Oxalate: A DFT approach
Quantum chemical computations, vibrational spectroscopic analysis and antimicrobial studies of 2,3-Pyrazinedicarboxylic acid
Design, Synthesis and Vibrational Spectroscopic Studies of the Nonlinear Optical Crystal l-histidine Potassium Chloride
Vibrational spectroscopic studies and DFT computation of the nonlinear optical molecule L-Valinium formate
FT-IR, FT-Raman spectra and other molecular properties of 2,4- dichlorobenzonitrile: A interpretation by a DFT study
Growth and vibrational spectral investigation of nonlinear optical crystal L-Argininum Perchlorate-DFT study
FT-IR, FT-Raman, NMR spectra and DFT simulations of 4-(4-fluoro-phenyl)-1H-imidazole
Vibrational spectra and density functional theoretical calculations on the NLO crystal DL-Valinium trifluoroacetate
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