Spectral (FT-IR, FT-Raman, NMR, UV–vis), electronic structure (DFT, TD-DFT), and molecular docking investigations on 1-((1H-benzo[d]imidazol-1-yl)methyl)urea – A bioactive Mannich base system
Sumithra, M, Jone Pradeepa, Susairaj, Tamilvendan, D, Boobalan, Maria Susai, Sundaraganesan, N
Published in Chemical physics letters (01.11.2022)
Published in Chemical physics letters (01.11.2022)
Get full text
Journal Article
Molecular structure, spectroscopic (FT-IR, FT-Raman, NMR, UV) studies and first-order molecular hyperpolarizabilities of 1,2-bis(3-methoxy-4-hydroxybenzylidene)hydrazine by density functional method
Subramanian, N., Sundaraganesan, N., Jayabharathi, J.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.07.2010)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.07.2010)
Get full text
Journal Article
Synthesis, structural, spectral (FTIR, FT-Raman, UV, NMR), NBO and first order hyperpolarizability analysis of N-phenylbenzenesulfonamide by density functional theory
Govindarasu, K., Kavitha, E., Sundaraganesan, N.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (10.12.2014)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (10.12.2014)
Get full text
Journal Article
FT-Raman and FT-IR spectra, vibrational assignments and density functional studies of 5-bromo-2-nitropyridine
Sundaraganesan, N., Ilakiamani, S., Saleem, H., Wojciechowski, Piotr. M., Michalska, Danuta
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.10.2005)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.10.2005)
Get full text
Journal Article
Molecular structure, anharmonic vibrational frequencies and NBO analysis of naphthalene acetic acid by density functional theory calculations
Kavitha, E., Sundaraganesan, N., Sebastian, S., Kurt, M.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15.10.2010)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15.10.2010)
Get full text
Journal Article
FT-IR, FT-Raman spectra and ab initio HF and DFT calculations of 4- N, N′-dimethylamino pyridine
Sundaraganesan, N., Kalaichelvan, S., Meganathan, C., Joshua, B. Dominic, Cornard, J.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.12.2008)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.12.2008)
Get full text
Journal Article
Molecular structure, vibrational, UV and NBO analysis of 4-chloro-7-nitrobenzofurazan by DFT calculations
Kurt, M., Babu, P. Chinna, Sundaraganesan, N., Cinar, M., Karabacak, M.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.09.2011)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.09.2011)
Get full text
Journal Article
Electron acceptor, excitation energies, oscillatory strength, spectroscopic and solvent effects on 5-amino-4,6-dichloro-2-(propylthio) pyrimidine - anticancer agent
Sumithra, M., Sundaraganesan, N., Rajesh, R., Vetrivelan, V., Ilangovan, V., Javed, Saleem, Muthu, S.
Published in Chemical physics impact (01.06.2023)
Published in Chemical physics impact (01.06.2023)
Get full text
Journal Article
Molecular structure, vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 2-aminobenzimidazole
Sudha, S., Karabacak, M., Kurt, M., Cinar, M., Sundaraganesan, N.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15.12.2011)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15.12.2011)
Get full text
Journal Article
Molecular structure, spectroscopic studies and first-order molecular hyperpolarizabilities of ferulic acid by density functional study
Sebastian, S., Sundaraganesan, N., Manoharan, S.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.10.2009)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.10.2009)
Get full text
Journal Article
Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), first order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2-cyanobiphenyl
Sebastian, S., Sundaraganesan, N., Karthikeiyan, B., Srinivasan, V.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.02.2011)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.02.2011)
Get full text
Journal Article