S. Ramalingam

发表

Vibrational, NMR and UV-Visible spectroscopic investigation, HOMOLUMO and NLO studies on Bis(thiourea) Cadmium chloride (BTCC) Using quantum mechanical simulations

R. Vijaya Durga, R. Sundararajan, S. An, 2016 .

FT-IR, FT-Raman, UV, NMR spectra, molecular structure, ESP, NBO and HOMO-LUMO investigation of 2-methylpyridine 1-oxide: a combined experimental and DFT study.

S. Boomadevi, E. Fereyduni, D. Shoba, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Preparation and characterizations of SnO2 nanopowder and spectroscopic (FT-IR, FT-Raman, UV-Visible and NMR) analysis using HF and DFT calculations.

M. Bououdina, M. Jayachandran, S. Ramalingam, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular structure analysis and biological properties investigation on antiseptic drug; 2-amino-1-phenyl-1-propanol using spectroscopic and computational research analysis

S. Ramalingam, R. Aarthi, A. Abbas Manthiri, 2021, Heliyon.

Structural activity analysis, spectroscopic investigation, biological and chemical properties interpretation on Beta Carboline using quantum computational methods

C. Nithya, S. Ramalingam, R. Aarthi, 2019, Heliyon.

Preparation, Characterization, Spectroscopic (FT-IR, FT-Raman, UV and Visible) Investigation, Optical and Physico Chemical Property Analysis on In2O3 Thin Films

M. Jothibas, S. Ramalingam, I. JosephPanneerdoss, 2015 .

Spectroscopic investigation and chemical properties analysis on anticancer compound; α,α,ά,ά-Tetrabromo-p-Xylene with computational analysis

S. Periandy, S. Ramalingam, V. Gokulakrishnan, 2016 .

Vibrational spectroscopic [FT-IR, FT-Raman] investigation on (2,4,5-Trichlorophenoxy) Acetic acid using computational [HF and DFT] analysis.

S. Periandy, J. Joseph Prince, S. Ramalingam, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Characterization of prepared In2O3 thin films: The FT-IR, FT-Raman, UV-Visible investigation and optical analysis.

M. Jothibas, S. Jeyakumar, S. Ramalingam, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic [FT-IR and FT-Raman] and theoretical [UV-Visible and NMR] analysis on α-Methylstyrene by DFT calculations.

S. Periandy, J. Joseph Prince, S. Ramalingam, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Comparative vibrational analysis of 1,2-Dinitro benzene and 1-Fluoro-3-nitro benzene: a combined experimental (FT-IR and FT-Raman) and theoretical study (DFT/B3LYP/B3PW91).

S. Periandy, S. Ramalingam, D. Mahadevan, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FT-IR and FT-Raman, UV spectroscopic investigation of 1-bromo-3-fluorobenzene using DFT (B3LYP, B3PW91 and MPW91PW91) calculations.

M. Karabacak, S. Periandy, S. Ramalingam, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

The Spectroscopic ( FTIR , FT-Raman , NMR & UV-Vis ) and first order hyperpolarizability , Homo and Lumo analysis of Maleic anhydride By HF and DFT Methods

R. Kanaka Durga, K. Rajkumar, R. Sundararajan, 2016 .

Spectroscopic (IR and Raman) Analysis and Gaussian Hybrid Computational Investigation- NMR, UV-Visible, MEP Maps and Kubo Gap on 2,4,6-Nitrophenol

Ramach, J. Pc, S. Ramalingam, 2014 .

Crystal growth and DFT insight on sodium para-nitrophenolate para-nitrophenol dihydrate single crystal for NLO applications

A. Rajesh, S. Ramalingam, S. Selvakumar, 2016 .

Vibrational investigation on pharmaceutical activity of m-xylene-4-sulphonic acid by quantum computational and experimental support

S. Periandy, S. Ramalingam, G. George, 2018 .

Spectroscopic and computational (DFT-SCF) investigations on anti tuberculosis activity of Isonicotino hydrazide

S. Ramalingam, 2018, Pharmaceutics and Pharmacology Research.

Vibrational and NMR Investigation on Pharmaceutical Activity of 2,5-Dimethoxy-4-Ethylamphetamine by Theoretical and Experimental Support

S. Peri, S. Ramalingam, S. Xavier, 2017 .

Dual-Opto-electronic evaluation, and dielectric profile investigation of organic NLO crystal; 4-Dimethylamino-4′-Nitrobiphenyl using computational tool

J. Karpagam, S. Periandy, S. Ramalingam, 2022, Journal of Molecular Structure.

Synthesis, spectral characterization (FT-IR, FT-Raman and NMR) and Quantum computational analysis of (E)-1-(4-Bromophenyl)-3-(5-bromothiophen-2-yl)prop‑2-en-1-one

S. Sebastian, S. Periandy, S. Ramalingam, 2020 .

Spectroscopic analysis, AIM, NLO and VCD investigations of acetaldehyde thiosemicarbazone using quantum mechanical simulations

M. Govindarajan, S. Ramalingam, S. J. Gnanamuthu, 2016 .

First principles and DFT supported investigations on vibrational spectra and electronic structure of 2-((phenylamino)methyl)isoindoline-1,3-dione--an antioxidant active Mannich base.

M. Bououdina, S. Ramalingam, M. Boobalan, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular design, electronic structure and optoelectronic properties of vinyl fused monomeric and oligomeric benzothiazoles—A theoretical investigation

R. Ramamoorthy, S. Ramalingam, E. Bedada, 2022, Synthetic Metals.

Single crystal structure, spectroscopic (FT-IR, FT-Raman, 1H NMR, 13C NMR) studies, physico-chemical properties and theoretical calculations of 1-(4-chlorophenyl)-3-(4-nitrophenyl)triazene.

M. K. Rofouei, E. Fereyduni, M. Kamaee, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

A computational perspective on equilibrium geometry, vibrational spectra and electronic structure of antioxidant active Mannich base 1-[(Pyridin-2-yl amino) methyl] pyrrolidine-2,5-dione

M. Bououdina, S. Ramalingam, M. Boobalan, 2014 .

NBO, conformational, NLO, HOMO-LUMO, NMR and electronic spectral study on 1-phenyl-1-propanol by quantum computational methods.

S. Periandy, S. Ramalingam, S. Xavier, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic (infrared, Raman, UV and NMR) analysis, Gaussian hybrid computational investigation (MEP maps/HOMO and LUMO) on cyclohexanone oxime.

M. Karabacak, N. Puviarasan, S. Periandy, 2012, Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy.

FTIR and FTRaman spectra, assignments, ab initio HF and DFT analysis of 4-nitrotoluene.

M. Govindarajan, S. Mohan, S. Periandy, 2010, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Structure activity investigation, CT complex analysis and spectroscopic investigation on antibiotic drug; Sulfamethoxazole using quantum chemical calculations

J. Karpagam, A. Sathya, S. Ramalingam, 2021 .

FT-IR and FT-Raman spectral investigation, computed IR intensity and Raman activity analysis and frequency estimation analysis on 4-chloro-2-bromoacetophenone using HF and DFT calculations.

S. Periandy, S. Ramalingam, P. Anbusrinivasan, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic and computational investigation of the structure and pharmacological activity of 1-benzylimidazole

S. Periandy, S. Ramalingam, S. Xavier, 2017 .

FT-IR and FT-Raman spectra and vibrational investigation of 4-chloro-2-fluoro toluene using ab initio HF and DFT (B3LYP/B3PW91) calculations.

S. Mohan, S. Periandy, S. Ramalingam, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FT-IR and FT-Raman vibrational spectra and molecular structure investigation of nicotinamide: A combined experimental and theoretical study.

M. Govindarajan, S. Mohan, S. Periandy, 2010, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Insilico molecular modeling, docking and spectroscopic [FT-IR/FT-Raman/UV/NMR] analysis of Chlorfenson using computational calculations.

M. Bououdina, S. Periandy, S. Ramalingam, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

NLO activity analysis and spectroscopic investigation on electro-optic and physico-chemical properties of organic complex; N-benzyloxycarbonyl-L-Aspartic acid

S. Periandy, D. Vidhya, S. Ramalingam, 2020 .

Experimental and theoretical investigation on optoelectronic properties of organic NLO crystal; S-(4,6-dimethyl-2-pyrimidinyl) O-(p-methoxybenzyl) thiocarbonate

S. Periandy, D. Vidhya, S. Ramalingam, 2020 .

Molecular structure-associated pharmacodynamic investigation on benzoyl peroxide using spectroscopic and quantum computational tools

S. Periandy, S. Ramalingam, R. Aarthi, 2018 .

Vibrational, NMR and UV–Visible spectroscopic investigation on 10-methyl anthracene 9-carbaldehyde using computational calculations

S. Ramalingam, K. Jayachitra, P. C. JobePrabakar, 2020 .

Vibrational investigation, molecular orbital studies and molecular electrostatic potential map analysis on 3-chlorobenzoic acid using hybrid computational calculations.

E. Fereyduni, S. Periandy, S. Ramalingam, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic (FT-IR/FT-Raman) and computational (HF/DFT) investigation and HOMO/LUMO/MEP analysis on 2-amino-4-chlorophenol.

M. Karabacak, S. Periandy, S. Ramalingam, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic (FT-IR, FT-Raman and UV-vis) investigation and frontier molecular orbitals analysis on 3-methyl-2-nitrophenol using hybrid computational calculations.

M. Karabacak, N. Puviarasan, S. Periandy, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational spectroscopy (FTIR and FTRaman) investigation using ab initio (HF) and DFT (B3LYP) calculations on the structure of 3-Bromo phenol.

S. Periandy, S. Ramalingam, D. Mahadevan, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Physico-Chemical Characterization, Opto Electronic Investigation and Vibrational Analysis on Coordinate Covalent Complex; Bis (Thiourea) Nickel Bromide (BTNB) Using Experimental and Computational Tools

Ramach, An, R. Sundararajan, 2016 .

Vibrational spectroscopic (FTIR and FTRaman) investigation using ab initio (HF) and DFT (LSDA and B3LYP) analysis on the structure of Toluic acid.

S. Periandy, S. Ramalingam, P. D. S. Babu, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational spectroscopy (FTIR and FTRaman) investigation using ab initio (HF) and DFT (B3LYP and B3PW91) analysis on the structure of 2-amino pyridine.

S. Mohan, S. Periandy, S. Ramalingam, 2010, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Structural, biological and pharmaceutical importance of antibiotic agent chloramphenicol

A. Sathya, S. Ramalingam, T. Prabhu, 2020, Heliyon.

Molecular Structure and Vibrational Analysis of 1-Bromo-2-Chlorobenzene Using ab initio HF and Density Functional Theory (B3LYP) Calculations

S. Periandy, S. Ramalingam, G. Shakila, 2011 .

Spectroscopic and QSAR analysis on Antibiotic drug; 2-amino-4,6-dimethylpyrimidine using Quantum Computational Tools

S. Periandy, P. Johnson, S. Ramalingam, 2018 .

Crystal property and spectroscopic investigation on electro-optic and physico-chemical properties of NLO crystal; 3-(3,4-Dihydroxyphenyl)-L-Alanine

S. Periandy, D. Vidhya, S. Ramalingam, 2019, Heliyon.

Vibrational Analysis and NLO Impact of Coordinate Covalent Bond on Bis (Thiourea) Cadmium Bromide: A Comparative Computational Study

Ramach, An, R. Sundararajan, 2015 .

Molecular analyses using FT-IR, FT-Raman and UV spectral investigation; quantum chemical calculations of dimethyl phthalate

M. Govindarajan, S. Ramalingam, G. George, 2019, Journal of Molecular Structure.

Spectroscopic analysis (FT-IR/FT-Raman) and molecular structure investigation on m-fluoronitrobenzene using hybrid computational calculations.

M. Karabacak, N. Puviarasan, S. Periandy, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational spectroscopic investigation (FT-IR and FT-Raman) on 1,2-dibromobenzene by HF and hybrid (LSDA and B3LYP) calculations.

S. Periandy, S. Ramalingam, G. Shakila, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Experimental (FT-IR, FT-Raman) and theoretical (HF and DFT) investigation and HOMO and LUMO analysis on the structure of p-fluoronitrobenzene.

M. Karabacak, S. Periandy, S. Ramalingam, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FT-IR and FT-Raman, vibrational assignments, molecular geometry, ab initio (HF) and DFT (B3LYP) calculations for 1,3-dichlorobenzene.

S. Periandy, S. Ramalingam, D. Mahadevan, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Experimental (FT-IR and FT-Raman) and theoretical (HF and DFT) investigation, IR intensity, Raman activity and frequency estimation analyses on 1-bromo-4-chlorobenzene.

S. Periandy, S. Ramalingam, V. Udayakumar, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular structure and vibrational analysis of 3-Ethylpyridine using ab initio HF and density functional theory (B3LYP) calculations.

S. Periandy, S. Ramalingam, G. Shakila, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Pharmaceutical property interpretation and biological property study on Ethionamide using quantum spectroscopic and computational tools

S. Periandy, S. Ramalingam, R. Aarthi, 2019, Journal of Taibah University for Science.

Experimental Study (FT IR and FT Raman), Computed Vibrational Frequency Analysis and Computed IR Intensity and Raman Activity Analysis on 2, 6-Lutidine: HF and DFT Calculations

S. Periandy, S. Ramalingam, T. Prabhu, 2011 .

Electro-optic property evaluation, vibrational analysis and optical investigation on NLO crystal; Nickel sulfate doped L-Valine crystal using theoretical tools

S. Ramalingam, R. Kunjitham, M. Joice Malini, 2020 .

Precise Spectroscopic [IR, Raman and NMR] Investigation and Gaussian Hybrid Computational Analysis (UV-Visible, NIR, MEP Maps and Kubo Gap) on L-Valine

Helan, J. David, S. Ramalingam, 2014 .

Vibrational spectroscopy (FT-IR and FT-Raman) investigation, and hybrid computational (HF and DFT) analysis on the structure of 2,3-naphthalenediol.

M. Karabacak, S. Periandy, D. Shoba, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic investigation, computed IR intensity, Raman activity and vibrational frequency analysis on 3-bromoanisole using HF and DFT (LSDA/MPW1PW91) calculations.

S. Periandy, S. Ramalingam, S. Periandy., 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Analysis on biological importance of antiseptic drug, O-Benzyl hydroxylamine, by the application of spectroscopic and theoretical tools

S. Ramalingam, R. Aarthi, G. George, 2019, Heliyon.

NLO evaluation on opto-electronic application and chemical potential oscillation analysis of 2-Chloro-4-nitro-N-methylaniline crystal using crystallographic, spectroscopic and theoretical tools

S. Periandy, S. Ramalingam, R. Aarthi, 2021 .

FT-IR and FT-Raman spectroscopic investigation, computed vibrational frequency analysis and IR intensity and Raman activity peak resemblance analysis on 2-nitroanisole using HF and DFT (B3LYP and B3PW91) calculations.

S. Periandy, S. Ramalingam, T. Prabhu, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FT-IR and FT-Raman vibrational analysis, ab initio HF and DFT simulations of isocyanic acid 1-naphthyl ester.

M. Karabacak, S. Periandy, D. Shoba, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular structure and vibrational investigation of benzenesulfonic acid methyl ester using DFT (LSDA, B3LYP, B3PW91 and MPW1PW91) theory calculations.

S. Mohan, S. Periandy, S. Ramalingam, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular structure investigation towards pharmacodynamic activity and QSAR analysis on hypoxanthine using experimental and computational tools

S. Periandy, S. Ramalingam, R. Aarthi, 2018, Egyptian Journal of Basic and Applied Sciences.

Role of Purged Air On Synthesis of Mesoporous NiO/C Composite And Its Application On Waste Water Treatment

S. Narayanan, K. Sakthipandi, S. Ramalingam, 2021 .

Experimental [FT-IR and FT-Raman] Analysis and Theoretical [IR, Raman, NMR and UV-Visible] Investigation on Propylbenzene

S. Peri, S. Ramalingam, 2014 .

Biological and structural properties’ interpretation on antitumour drug 3-(2-aminoethyl) indole (tryptamine) using molecular spectroscopy and computational tools

S. Ramalingam, R. Aarthi, K. Hemachandran, 2018, Journal of Taibah University for Science.

Electronic controlled optical activity analysis on NLO crystal; 4-Amino-5-Nitroindole using morphological, spectroscopic and theoretical tools

M. Venkateswarlu, S. Ramalingam, R. Aarthi, 2020 .

In Silico vibrational spectroscopic investigation on antioxidant active Mannich base 1-[anilino (phenyl) methyl] pyrrolidine-2,5-dione.

S. Ramalingam, M. Boobalan, D. Tamilvendan, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FT-IR and FT-Raman investigation, computed vibrational intensity analysis and computed vibrational frequency analysis on m-Xylol using ab-initio HF and DFT calculations.

S. Periandy, S. Ramalingam, T. Prabhu, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational spectroscopy [FTIR and FTRaman] investigation, computed vibrational frequency analysis and IR intensity and Raman activity peak resemblance analysis on 4-chloro 2-methylaniline using HF and DFT [LSDA, B3LYP and B3PW91] calculations.

S. Periandy, S. Ramalingam, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FTIR and FTRaman spectroscopic investigation of 2-bromo-4-methylaniline using ab initio HF and DFT calculations.

B. Narayanan, S. Mohan, S. Periandy, 2010, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

DFT, spectroscopic, DSC/TGA, electronic, biological and molecular docking investigation of 2,5-thiophenedicarboxylic acid: A promising anticancer agent

S. Sebastian, S. Periandy, S. Ramalingam, 2020 .

Electronic [UV-Visible] and vibrational [FT-IR, FT-Raman] investigation and NMR-mass spectroscopic analysis of terephthalic acid using quantum Gaussian calculations.

S. Periandy, J. J. prince, S. Ramalingam, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational, NMR and UV–Visible spectroscopic investigation, VCD and NLO studies on Benzophenone thiosemicarbazone using computational calculations

S. Periandy, S. Ramalingam, K. Parasuraman, 2016 .

Electronic and vibrational spectroscopic (FT-IR and FT-Raman) investigation using ab initio (HF) and DFT (B3LYP and B3PW91) and HOMO/LUMO/MEP analysis on the structure of l -serine methyl ester hydrogen chloride

M. Govindarajan, S. Ramalingam, G. George, 2018, Journal of Molecular Structure.

NLO mechanism evaluation by Z-Scan, opto-electronic properties interpretation and chemical potential cavity investigation of 1,8-anthracenedimethanol using Quantum computations

J. Karpagam, S. Periandy, S. Ramalingam, 2021 .

Molecular structure activity investigation and spectroscopic analysis of (4-Chloro-2-methylphenoxy) acetic acid using Computationalmethods

Peri, S. Ramalingam, R. Aarthi, 2018 .

Synthesis opto-electronic characterization and NLO evaluation of 6-methyl 5-nitro Uracil crystal using XRD, spectroscopic and theoretical tools

S. Ramalingam, R. Aarthi, R. Maheswari, 2020, Heliyon.

Preparation, characterization, spectroscopic (FT-IR, FT-Raman, UV and visible) studies, optical properties and Kubo gap analysis of In2O3 thin films

M. Jothibas, M. Bououdina, S. Jeyakumar, 2013 .

Synthesis, spectroscopic, quantum computation, electronic, AIM, Wavefunction (ELF, LOL) and Molecular Docking investigation on (E)-1-(2,5-dichlorothiophen-3-yl)-3-(thiophen-2-yl)-2-propen-1-one

S. Sebastian, S. Ramalingam, S. Xavier, 2021 .

Molecular vibrational investigation [FT-IR, FT-Raman, UV-Visible and NMR] on Bis(thiourea) Nickel chloride using HF and DFT calculations.

R. Kanaka Durga, R. Sundararajan, S. Ramalingam, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational [FT-IR, FT-Raman] analysis, NMR and mass – Spectroscopic investigation on 3,6-Dimethylphenanthrene using computational calculation

S. Ramalingam, V. Gokulakrishnan, G. George, 2015 .

Spectroscopic (FT-IR/FT-Raman) and computational (HF/DFT) investigation and HOMO/LUMO/MEP analysis on 1,1-difluoro-2-vinyl-cyclopropane.

D. Shoba, S. Ramalingam, S. Periandy., 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic analysis, structural, microstructural, optical and electrical properties of Zn-doped In2O3 thin films.

M. Jothibas, M. Bououdina, C. Manoharan, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular structure activity on pharmaceutical applications of Phenacetin using spectroscopic investigation

S. Ramalingam, S. Xavier, P. Gayathri, 2017 .

Spectroscopic analysis, structural, microstructural, optical and electrical properties of Zn-doped In2O3 thin films.

M. Jothibas, M. Bououdina, C. Manoharan, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.