M. Arivazhagan

发表

Scaled quantum mechanical study of 2-acetylfluorene

Balachandran, P. Anbarasu, M. Arivazhagan, 2012 .

Molecular structure, vibrational spectral analysis, NBO, HOMO-LUMO and conformational studies of ninhydrin.

M. Arivazhagan, D. Anitha Rexalin, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Experimental approach, theoretical investigation and molecular docking of 2- chloro-5-fluoro phenol antibacterial compound

M. Arivazhagan, V. Vidhya, A. Austine, 2020, Heliyon.

Quantum chemical determination of molecular geometries and spectral investigation of 4-ethoxy-2, 3-difluoro benzamide

M. Arivazhagan, V. Vidhya, A. Austine, 2019, Heliyon.

Spectroscopic (FT-IR and FT-Raman) investigation, first order hyperpolarizability, NBO, HOMO-LUMO and MEP analysis of 6-nitrochromone by ab initio and density functional theory calculations.

M. Arivazhagan, J. Senthil kumar, S. Jeyavijayan, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Ultra-fine nickel sulfide nanoclusters @ nickel sulfide microsphere as enzyme-free electrode materials for sensitive detection of lactic acid

G. Maduraiveeran, M. Arivazhagan, 2020 .

Vibrational spectroscopic (FTIR and FT-Raman), first-order hyperpolarizablity, HOMO, LUMO, NBO, Mulliken charge analyses of 2-ethylimidazole based on Hartree-Fock and DFT calculations.

R. Meenakshi, M. Arivazhagan, S. Manivel, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

PCM/TD-DFT analysis of 1-bromo-2,3-dichlorobenzene--a combined study of experimental (FT-IR and FT-Raman) and theoretical calculations.

R. Meenakshi, M. Arivazhagan, P. Muniappan, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

DFT analysis of P-nitrobenzotrifluoride--a combined study of experimental (FT-IR and FT-Raman) and theoretical calculations.

G. Ilango, M. Arivazhagan, D. A. Rexalin, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FT-IR, FT-Raman, NMR studies and ab initio-HF, DFT-B3LYP vibrational analysis of 4-chloro-2-fluoroaniline.

M. Arivazhagan, D. Anitha Rexalin, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Density functional theory investigations on the conformational stability, molecular structure and vibrational spectra of 6-methyl-2-chromenone.

M. Arivazhagan, R. Kavitha, V. Subhasini, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational spectra, UV-vis spectral analysis and HOMO-LUMO studies of 2,4-dichloro-5-nitropyrimidine and 4-methyl-2-(methylthio)pyrimidine.

M. Arivazhagan, D. Anitha Rexalin, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Understanding field variation, quantum chemical modeling and molecular orbital analyses of trans-3-(trans-4-imidazolyl) acrylic acid

M. Arivazhagan, R. Gayathri, 2017 .

Vibrational spectra, NLO analysis, and HOMO-LUMO studies of 2-chloro-6-fluorobenzoic acid and 3,4-dichlorobenzoic acid by density functional method.

M. Arivazhagan, J. Senthil kumar, P. Thangaraju, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational spectral analysis and first hyperpolarizability studies of 1-bromonaphthalene based on ab initio and DFT methods.

M. Arivazhagan, D. A. Rexalin, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational spectroscopy investigation and HOMO, LUMO analysis using DFT (B3LYP) on the structure of 1,3-dichloro 5-nitrobenzene.

M. Arivazhagan, R. Gayathri, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational spectroscopic (FT-IR and FT-Raman), first-order hyperpolarizablity, HOMO, LUMO, NBO, Mulliken charges and structure determination of 2-bromo-4-chlorotoluene.

M. Arivazhagan, A. Subashini, C. Arunagiri, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic investigation ( FTIR and FT-Raman ) , vibrational assignments , HOMO-LUMO , NBO and MESP analyses of 3 ’-Nitroacetophenone

M. Arivazhagan, S. Manivel, R. James, 2016 .

Quantum chemical studies on structure , non-linear optical ( nlo ) properties and homo-lumo analysis of 6-amino-2 , 3-dihydro-1 , 4-phthalazinedione by ab initio and dft calculations

M. Arivazhagan, S. Manivel, E. Palanisamy, 2016 .

Hollow sphere nickel sulfide nanostructures–based enzyme mimic electrochemical sensor platform for lactic acid in human urine

G. Maduraiveeran, M. Arivazhagan, A. Shankar, 2020, Microchimica Acta.

Quantum chemical studies on structure of 2-amino-5-nitropyrimidine.

M. Arivazhagan, V. Subhasini, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 4-chloro-2-(trifluoromethyl) aniline based on DFT calculations.

M. Arivazhagan, A. Austine, V. Subhasini, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FTIR and FT-Raman spectra, molecular geometry, vibrational assignments, first-order hyperpolarizability, ab initio and DFT calculations for 3,4-dimethoxybenzonitrile.

M. Arivazhagan, S. Jeyavijayan, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 1,2-dichloro-4-nitrobenzene based on Hartree-Fock and DFT calculations.

M. Arivazhagan, S. Jeyavijayan, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FTIR, FT-Raman spectra and DFT analysis of m -nitrobenzaldehyde oxime

M. Arivazhagan, S. Jeyavijayan, 2012 .

Molecular structure, aromaticity, vibrational investigation and dual descriptor for chemical reactivity on 1- chloroisoquinoline using quantum chemical studies

M. Arivazhagan, V. Vidhya, A. Austine, 2020, Results in Materials.

Conformational analysis, UV-VIS, MESP, NLO and NMR studies of 6-methoxy-1,2,3,4-tetrahydronaphthalene.

M. Arivazhagan, R. Kavitha, V. Subhasini, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Cyanuric chloride catalyzed metal-free mild protocol for the synthesis of highly functionalized tetrahydropyridines

J. Małecki, R. Ramesh, A. Lalitha, 2017 .

Improved One-Pot, Four-Component Strategy to Access Functionalized Dihydropyridines by Using 4-(N,N-Dimethylamino)pyridine as a Catalyst

J. Małecki, R. Ramesh, A. Lalitha, 2018, Synlett.

Molecular structure, vibrational investigation of 2-chloro-α-α-α-trifluoro-3,5-dinitrotoluene using DFT (LSDA, B3LYP, B3PW91 and MPW1PW91) and UV-Vis absorption spectra in organic solvents: a IEF-PCM/TD-DFT study.

M. Arivazhagan, R. Gayathri, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Experimental (FT-IR and FT-Raman) and theoretical (HF and DFT) investigation, NMR, NBO, electronic properties and frequency estimation analyses on 2,4,5-trichlorobenzene sulfonyl chloride.

M. Arivazhagan, R. Gayathri, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational study, first hyperpolarizability and HOMO-LUMO analyses on the structure of 2-hydroxy-6-nitro toluene.

G. Thilagavathi, M. Arivazhagan, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational spectroscopic investigations, first hyperpolarizability, HOMO-LUMO and NMR analyzes of p-fluorobenzonitrile.

R. Meenakshi, M. Arivazhagan, S. Prabhakaran, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Quantum chemical studies on structure of 1-3-dibromo-5-chlorobenzene.

R. Meenakshi, M. Arivazhagan, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular structure, vibrational spectroscopic, NBO, HOMO–LUMO and Mulliken analysis of 4-methyl-3-nitro benzyl chloride

M. Arivazhagan, R. Kavitha, 2012 .

The spectroscopic (FT-IR, FT-Raman), MESP, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 1,5-dimethyl napthalene by density functional method.

R. Senthilkumar, M. Arivazhagan, R. Kavitha, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational and normal coordinate analysis of xanthine and hypoxanthine

M. Arivazhagan, V. Krishnakumar, 2004 .

FTIR, FT-Raman, scaled quantum chemical studies of the structure and vibrational spectra of 1,5-dinitronaphthalene.

V. Krishnakumar, V. Balachandran, G. Ilango, 2009, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis, growth and characterization of copper mercury thiocyanate crystal

M. Arivazhagan, C. Raja, B. Vijayabhaskarana, 2011 .

Molecular structure, vibrational spectral assignments, HOMO-LUMO, MESP, Mulliken analysis and thermodynamic properties of 2,6-xylenol and 2,5-dimethyl cyclohexanol based on DFT calculation.

M. Arivazhagan, J. Senthil kumar, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational assignment, HOMO – LUMO, first-hyperpolarizability and Mulliken’s charge analysis of 2,7-dinitrofluorene

M. Arivazhagan, J. Kumar, 2012 .

Vibrational spectra, DFT quantum chemical calculations and conformational analysis of P-iodoanisole.

J. Geethapriya, M. Arivazhagan, D. Anitha Rexalin, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Theoretical and experimental calculations, Mulliken charges and thermodynamic properties of 4-chloro-2-nitroanisole.

M. Arivazhagan, A. Subashini, C. Arunagiri, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Electronic structure investigations of 4-aminophthal hydrazide by UV-visible, NMR spectral studies and HOMO-LUMO analysis by ab initio and DFT calculations.

M. Arivazhagan, S. Jeyavijayan, K. Sambathkumar, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Gold Nanoclusters Dispersed on Gold Dendrite-Based Carbon Fibre Microelectrodes for the Sensitive Detection of Nitric Oxide in Human Serum

G. Maduraiveeran, P. Kannan, M. Arivazhagan, 2022, Biosensors.

Non-Enzymatic Glucose Detection Based on NiS Nanoclusters@NiS Nanosphere in Human Serum and Urine

G. Maduraiveeran, M. Arivazhagan, Yesupatham Manova Santhosh, 2021, Micromachines.

Vibrational and normal coordinate analysis of thymine hydrochloride

M. Arivazhagan, V. Krishnakumar, 2003 .

Density functional theory calculation and vibrational spectroscopy study of 2-amino-4,6-dimethyl pyrimidine (ADMP).

G. Thilagavathi, M. Arivazhagan, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular structure, vibrational spectroscopy, NBO and HOMO, LUMO studies of o-methoxybenzonitrile.

M. Arivazhagan, B. Jayasudha, M. Elanthiraiyan, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis, structural, DFT, quantum chemical modeling and molecular docking studies of (E)-4-(((5-methylfuran-2-yl)methylene)amino) benzenesulfonamide from 5-methyl-2-furaldehyde and sulfanilamide

Renjith Thomas, J. Geethapriya, M. Arivazhagan, 2022, Journal of the Indian Chemical Society.

Vibrational analysis of 4-amino pyrazolo (3,4-d) pyrimidine A joint FTIR, Laser Raman and scaled quantum mechanical studies.

M. Arivazhagan, J. Senthil kumar, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Hierarchical gold dispersed nickel oxide nanodendrites microarrays as a potential platform for the sensitive electrochemical detection of glucose and lactate in human serum and urine

G. Maduraiveeran, M. Arivazhagan, Govindhan Maduraiveeran, 2023, Materials Chemistry and Physics.

NBO, NMR, UV, FT-IR, FT-Raman spectra and molecular structure (monomeric and dimeric structures) investigation of 4-Chloro-3,5-Xylenol: a combined experimental and theoretical study.

M. Arivazhagan, R. Gayathri, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational Spectroscopic Investigation, Homo-Lumo, Nlo, and NBO Analyses of Alpha, Alpha - Dibromo - M - Chloro Toluene

M. Arivazhagan, S. Manivel, L. F. A. Amirtharaj, 2018 .

Normal coordinate analysis of 1-chloroisoquinoline and 2-methyl-8-nitroquinoline

M. Arivazhagan, V. Krishnakumar, 2005 .

FTIR and FT-Raman spectra, assignments, ab initio HF and DFT analysis of xanthine.

M. Arivazhagan, S. Jeyavijayan, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Conformational stability, vibrational spectra, molecular structure, NBO and HOMO-LUMO analysis of 5-nitro-2-furaldehyde oxime based on DFT calculations.

J. Geethapriya, M. Arivazhagan, S. Jeyavijayan, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FT-IR, FT-Raman and theoretical NBO, NLO and MESP analysis of 4-bromoveratrole by ab-initio HF and DFT methods

M. Arivazhagan, R. Kavitha, 2012 .

Vibrational spectral analysis and first hyperpolarizability studies of 1-bromonaphthalene based on ab initio and DFT methods.

M. Arivazhagan, D. A. Rexalin, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Derivatives of dichloro-α,α,α-trifluorotoluene (DαααTFT) have got wide applications, such as anti-bacterial agents, central nervous system depressants, tranquilizers for alleviation of anxiety, anti-malarial agent-mefloquine, for heat transfer printing of Polyester textiles, insecticides, a develope

M. Arivazhagan, S. Manivel, P. Chitradevi, 2016 .