R. J. Xavier

发表

Conformational stability, vibrational spectra, HOMO-LUMO and NBO analysis of 1,3,4-thiadiazolidine-2,5-dithione with experimental (FT-IR and FT-Raman) techniques and scaled quantum mechanical calculations.

R. J. Xavier, P. Dinesh, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Quantum chemical calculations, vibrational studies, HOMO-LUMO and NBO/NLMO analysis of 2-bromo-5-nitrothiazole.

R. J. Xavier, E. Gobinath, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Density functional theory study on characterization of 3-chloro-1,2-benzisothiazole.

R. J. Xavier, E. Gobinath, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis , Characterization of Nickel Oxide Nanoparticles and Effect of Solution Temperature

R. J. Xavier, R. Begum, 2016 .

Effect of Lithium doping on Structural , Optical , Eletrochemical and Magnetic Properties of NiO Nanoparticles

R. J. Xavier, R. Begum, 2016 .

Vibrational spectra, monomer, dimer, NBO, HOMO, LUMO and NMR analyses of trans-4-hydroxy-L-proline.

R. J. Xavier, P. Dinesh, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic (FTIR, FT-Raman, 13C and 1H NMR) investigation, molecular electrostatic potential, polarizability and first-order hyperpolarizability, FMO and NBO analysis of 1-methyl-2-imidazolethiol.

R. J. Xavier, P. Dinesh, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FT-IR, FT-Raman, ab initio and DFT studies, HOMO-LUMO and NBO analysis of 3-amino-5-mercapto-1,2,4-triazole.

R. J. Xavier, E. Gobinath, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FT Raman and FT-IR spectral studies of 3-mercapto-1,2,4-triazole.

V. Krishnakumar, R. J. Xavier, 2004, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Normal coordinate analysis of 2-mercapto and 4,6-dihydroxy -2-mercapto pyrimidines

V. Krishnakumar, R. J. Xavier, 2003 .

Hydrogen bonding and molecular vibrations of 3,5-diamino-1,2,4-triazole.

G. Keresztury, T. Sundius, R. J. Xavier, 2005, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Linear and nonlinear optical properties of N-(3-nitrophenyl) acetamide single crystals

J. Madhavan, S. Senthil, R. J. Xavier, 2012 .

Bio-Fabrication, Characterization of Silver Nanoparticles and their Evaluation of Catalytic, Antioxidant and Antimicrobial Efficacy

R. Bhuvaneswari, R. J. Xavier, M. Arumugam, 2015 .

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.

Density functional theory study of vibrational spectra, and assignment of fundamental vibrational modes of succinimide and N-bromosuccinimide.

V. Krishnakumar, T. Chithambarathanu, R. J. Xavier, 2005, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational analysis of 1,4-diaminoanthraquinone and 1,5-dichloroanthraquinone. A joint FTIR, FT-Raman and scaled quantum mechanical study.

V. Krishnakumar, R. J. Xavier, 2005, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Normal coordinate analysis of vibrational spectra of 2-methylindoline and 5-hydroxyindane

V. Krishnakumar, R. J. Xavier, 2003 .

Facile synthesis of multifunctional silver nanoparticles using mangrove plant Excoecaria agallocha L. for its antibacterial, antioxidant and cytotoxic effects

R. Bhuvaneswari, R. J. Xavier, M. Arumugam, 2017, Journal of Parasitic Diseases.

Quantum chemical computations, vibrational spectroscopic studies, NLO and NBO/NLMO analysis of o-chlorobenzohydrazide.

R. J. Xavier, E. Gobinath, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Larvicidal property of green synthesized silver nanoparticles against vector mosquitoes (Anopheles stephensi and Aedes aegypti)

R. Bhuvaneswari, R. J. Xavier, M. Arumugam, 2016 .

Effect of heat-treatment on the structural and optical properties of Cu2S thin films deposited by CBD method

S. Muthukumaran, K. Dhanabalan, R. J. Xavier, 2014, Journal of Materials Science: Materials in Electronics.

Experimental and theoretical spectroscopic studies, HOMO-LUMO, NBO and NLMO analysis of 3,5-dibromo-2,6-dimethoxy pyridine.

R. J. Xavier, E. Gobinath, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

The properties of chemical bath deposited cadmium sulfide thin films with the effect of ammonia salt concentration

C. Pragathiswaran, P. Sahayaraj, A. Prema, 2016 .

Biofabrication and its in vitro toxicity mechanism of silver nanoparticles using Bruguiera cylindrica leaf extract

R. Bhuvaneswari, R. J. Xavier, M. Arumugam, 2015 .

Density functional theory calculations and vibrational spectra of 3,5-dibromopyridine and 3,5-dichloro-2,4,6-trifluoropyridine.

V. Krishnakumar, R. J. Xavier, 2005, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Analysis of vibrational spectra of 4-amino-2,6-dichloropyridine and 2-chloro-3,5-dinitropyridine based on density functional theory calculations.

V. Balachandran, V. Krishnakumar, S. Dheivamalar, 2006, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Ab initio, density functional computations, FT-IR, FT-Raman and molecular geometry of 4-morpholine carbonitrile.

R. J. Xavier, S. Raj, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Scaled quantum chemical studies of the structure and vibrational spectra of 2,4-diaminoquinazoline and 4-amino-2-methylquinoline

V. Krishnakumar, R. J. Xavier, 2005 .

Spectroscopic investigations, DFT computations and other molecular properties of 2,4-dimethylbenzoic acid

S. Jeyavijayan, R. J. Xavier, E. Gobinath, 2017 .

Vibrational spectra, monomer, dimer, NBO, HOMO, LUMO and NMR analyses of trans-4-hydroxy-L-proline.

R. J. Xavier, P. Dinesh, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.