First-principles study of electronic structure and optical properties of cubic perovskite CsCaF3 KE Babu, A Veeraiah, DT Swamy, V Veeraiah Chinese Physics Letters 29 (11), 117102, 2012 | 47 | 2012 |
Intricate spectroscopic profiling, light harvesting studies and other quantum mechanical properties of 3-phenyl-5-isooxazolone using experimental and computational strategies YS Priya, KR Rao, PV Chalapathi, A Veeraiah, KE Srikanth, YS Mary, ... Journal of Molecular Structure 1203, 127461, 2020 | 44 | 2020 |
FT-IR, FT-Raman and UV–Vis spectra and DFT calculations of 3-cyano-4-methylcoumarin NU Sri, K Chaitanya, MVS Prasad, V Veeraiah, A Veeraiah Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 97, 728-736, 2012 | 37 | 2012 |
First-principles study of electronic and optical properties of cubic perovskite CsSrF3 K Ephraim Babu, A Veeraiah, D Tirupathi Swamy, V Veeraiah Materials Science-Poland 30, 359-367, 2012 | 35 | 2012 |
Detailed molecular structure (XRD), conformational search, spectroscopic characterization (IR, Raman, UV, fluorescence), quantum mechanical properties and bioactivity … KE Srikanth, A Veeraiah, T Pooventhiran, R Thomas, KA Solomon, ... Heliyon 6 (6), 2020 | 26 | 2020 |
Excited states of aniline by photoabsorption spectroscopy in the 30 000–90 000 cm− 1 region using synchrotron radiation BN Rajasekhar, A Veeraiah, K Sunanda, BN Jagatap The Journal of Chemical Physics 139 (6), 2013 | 25 | 2013 |
Vibrational spectral studies, quantum mechanical properties, and biological activity prediction and inclusion molecular self-assembly formation of n-n’-dimethylethylene urea SP Yeddu, P Thangaiyan, A Veeraiah, D Vijay, KE Srikanth, A Irfan, ... Biointerface Res. Appl. Chem. 12, 3996-4017, 2022 | 23 | 2022 |
Experimental (FT-IR, FT-Raman and UV–Vis spectra) and density functional theory calculations of diethyl 1H-pyrazole-3, 5-dicarboxylate NU Sri, K Chaitanya, MVS Prasad, V Veeraiah, A Veeraiah Journal of molecular structure 1019, 68-79, 2012 | 20 | 2012 |
Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV-Vis spectra, first order hyperpo-larizability, NBO analysis, HOMO and LUMO anal-ysis, thermodynamic … MVS Prasad, NU Sri, A Veeraiah, V Veeraiah, K Chaitanya J. At. Mol. Sci 4 (1), 1-17, 2013 | 19 | 2013 |
FT-IR, FT-Raman, UV/Vis spectra and fluorescence imaging studies on 2-(bromoacetyl) benzo (b) furan by ab initio DFT calculations A Veeraiah Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 147, 212-224, 2015 | 15 | 2015 |
Experimental and theoretical analyses on structural (monomer and dimeric form), spectroscopic and electronic properties of an organic semiconductor 2, 6-dimethoxyanthracene K Eswar Srikanth, K Ramaiah, D Jagadeeswara Rao, K Prabhakara Rao, ... Indian Journal of Physics 94, 1153-1167, 2020 | 11 | 2020 |
A spectroscopic study of benzonitrile BN Rajasekhar, V Dharmarpu, AK Das, A Shastri, A Veeraiah, ... Journal of Quantitative Spectroscopy and Radiative Transfer 283, 108159, 2022 | 6 | 2022 |
Vibrational and Electronic Spectra of 2-Phenyl-2-Imidazoline: A Combined Experimental and Theoretical Study YS Priya, KR Rao, PV Chalapathi, A Veeraiah Journal of Modern Physics 9 (04), 753, 2018 | 5 | 2018 |
Vibrational and electronic absorption spectra of (Z)-2-(4-nitrobenzylidene)-1-benzofuran-3 (2H)-one A Veeraiah, KA Solomon, GG Krishna, JS Reddy, V Veeraiah, ... Journal of molecular structure 1026, 36-43, 2012 | 4 | 2012 |
Vibrational and electronic spectra of 5-Acetyluracil–An experimental and theoretical study A Veeraiah, K Chaitanya, V Veeraiah, MVS Prasad, NU Sri Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 95, 648-657, 2012 | 3 | 2012 |
Structural, vibrational and electronic spectroscopic study of 6-hydroxycoumarin using experimental and theoretical methods D Vijay, YS Priya, M Satyavani, AK Das, BN Rajasekhar, A Veeraiah Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 229, 117930, 2020 | 2 | 2020 |
Molecular geometry and vibrational analysis of 1-(2, 5-dimethyl-furan-3-yl)-ethanone by using density functional theory calculations KE Srikanth, DJ Rao, V Seetaramaiah, A Veeraiah Materials Today: Proceedings 18, 2019 | 2 | 2019 |
Vibrational Spectral Studies and Electronics Properties of Non-Linear Optical Heterocyclic Compound 3-Amino Pyrazole-DFT Study Y Sushma Priya, K Ramachandra Rao, P Venkata Chalapathi, A Veeraiah Journal of Clinical and Medical Images and Short Reports 1 (2), 1-9, 2018 | 1 | 2018 |
A high energy material-1, 4-di nitro-1 H-imidazole its molecular structure and NLO analysis by using DFT method KE Srikanth, SV Raju, A Veeraiah, D Vijay AIP Conference Proceedings 1992 (1), 2018 | | 2018 |
Vibrational and UV spectroscopic studies of 2-coumaranone by experimental and density functional theory calculations YS Priya, KR Rao, PV Chalapathi, M Satyavani, A Veeraiah Journal of Molecular Structure 1144, 535-544, 2017 | | 2017 |