| The spectroscopic (FT-Raman, FT-IR, UV and NMR), molecular electrostatic potential, polarizability and hyperpolarizability, NBO and HOMO–LUMO analysis of monomeric and dimeric … M Karabacak, L Sinha, O Prasad, Z Cinar, M Cinar Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 93, 33-46, 2012 | 118 | 2012 |
| Raman, FT-IR spectroscopic analysis and first-order hyperpolarisability of 3-benzoyl-5-chlorouracil by first principles L Sinha, O Prasad, V Narayan, SR Shukla Molecular Simulation 37 (2), 153-163, 2011 | 100 | 2011 |
| Molecular structure and vibrational study on 2, 3-dihydro-1H-indene and its derivative 1H-indene-1, 3 (2H)-dione by density functional theory calculations O Prasad, L Sinha, N Misra, V Narayan, N Kumar, J Pathak Journal of molecular structure: Theochem 940 (1-3), 82-86, 2010 | 95 | 2010 |
| Theoretical Raman and IR spectra of tegafur and comparison of molecular electrostatic potential surfaces, polarizability and hyerpolarizability of tegafur with 5-fluoro-uracil … O Prasad, L Sinha, N Kumar J. At. Mol. Sci 1 (3), 201-214, 2010 | 73 | 2010 |
| Experimental (FT-IR, FT-Raman, UV and NMR) and quantum chemical studies on molecular structure, spectroscopic analysis, NLO, NBO and reactivity descriptors of 3, 5-Difluoroaniline SK Pathak, R Srivastava, AK Sachan, O Prasad, L Sinha, AM Asiri, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 135, 283-295, 2015 | 66 | 2015 |
| Virtual screening in drug-likeness and structure/activity relationship of pyridazine derivatives as Anti-Alzheimer drugs A Zerroug, S Belaidi, I BenBrahim, L Sinha, S Chtita Journal of King Saud University-Science 31 (4), 595-601, 2019 | 64 | 2019 |
| A combined experimental and theoretical DFT (B3LYP, CAM-B3LYP and M06-2X) study on electronic structure, hydrogen bonding, solvent effects and spectral features of methyl 1H … R Srivastava, FAM Al-Omary, AA El-Emam, SK Pathak, M Karabacak, ... Journal of Molecular Structure 1137, 725-741, 2017 | 57 | 2017 |
| Molecular structure, electronic properties, NLO, NBO analysis and spectroscopic characterization of Gabapentin with experimental (FT-IR and FT-Raman) techniques and quantum … L Sinha, M Karabacak, V Narayan, M Cinar, O Prasad Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 109, 298-307, 2013 | 52 | 2013 |
| Spectroscopic analysis and rst-order hyperpolarisability of 3-benzoyl-5-chlorouracil by rst principles L Sinha, O Prasad, V Narayan, S Shukla J Mol Simul 37, 153, 2011 | 47 | 2011 |
| Experimental and theoretical DFT (B3LYP, X3LYP, CAM-B3LYP and M06-2X) study on electronic structure, spectral features, hydrogen bonding and solvent effects of 4 … I Singh, AA El-Emam, SK Pathak, R Srivastava, VK Shukla, O Prasad, ... Molecular Simulation 45 (13), 1029-1043, 2019 | 46 | 2019 |
| Structural and spectroscopic characterization of a novel potential chemotherapeutic agent 3-(1-adamantyl)-1-{[4-(2-methoxyphenyl) piperazin-1-yl] methyl}-4-methyl-1H-1, 2, 4 … AA El-Emam, AMS Al-Tamimi, KA Al-Rashood, HN Misra, V Narayan, ... Journal of Molecular Structure 1022, 49-60, 2012 | 43 | 2012 |
| FT-IR, FT-Raman, NMR, UV and quantum chemical studies on monomeric and dimeric conformations of 3, 5-dimethyl-4-methoxybenzoic acid M Karabacak, L Sinha, O Prasad, AM Asiri, M Cinar, VK Shukla Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 123, 352-362, 2014 | 39 | 2014 |
| An experimental and theoretical investigation of Acenaphthene-5-boronic acid: Conformational study, NBO and NLO analysis, molecular structure and FT-IR, FT-Raman, NMR and UV … M Karabacak, L Sinha, O Prasad, AM Asiri, M Cinar Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 115, 753-766, 2013 | 36 | 2013 |
| Development of certain novel N-(2-(2-(2-oxoindolin-3-ylidene) hydrazinecarbonyl) phenyl)-benzamides and 3-(2-oxoindolin-3-ylideneamino)-2-substituted quinazolin-4 (3H)-ones as … AM Alafeefy, AE Ashour, O Prasad, L Sinha, S Pathak, FA Alasmari, ... European Journal of Medicinal Chemistry 92, 191-201, 2015 | 33 | 2015 |
| Electronic structure, electric moments and vibrational analysis of 5-nitro-2-furaldehyde semicarbazone: A DFT study V Narayan, HN Mishra, O Prasad, L Sinha Computational and Theoretical Chemistry 973 (1-3), 20-27, 2011 | 25 | 2011 |
| Structure activity relationship and quantitative structure-activity relationships modeling of antitrypanosomal activities of alkyldiamine cryptolepine derivatives S Belaidi, T Salah, N Melkemi, L Sinha, O Prasad Journal of Computational and Theoretical Nanoscience 12 (9), 2421-2427, 2015 | 24 | 2015 |
| FT-IR, FT-Raman and UV spectroscopic investigation, electronic properties, electric moments, and NBO analysis of anethole using quantum chemical calculations L Sinha, O Prasad, S Chand, AK Sachan, SK Pathak, VK Shukla, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 133, 165-177, 2014 | 24 | 2014 |
| FT-IR spectra and vibrational spectroscopy of Andrographolide PK Singh, T Hasan, O Prasad, L Sinha, K Raj, N Misra Spectroscopy 20 (5-6), 275-283, 2006 | 24 | 2006 |
| Spectral features, electric properties, NBO analysis and reactivity descriptors of 2-(2-Benzothiazolylthio)-Ethanol: Combined experimental and DFT studies R Srivastava, L Sinha, M Karabacak, O Prasad, SK Pathak, AM Asiri, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136 …, 2015 | 23 | 2015 |
| Molecular structure and vibrational spectra of 2-formyl benzonitrile by density functional theory and ab initio Hartree–Fock calculations N Misra, O Prasad, L Sinha, A Pandey Journal of Molecular Structure: THEOCHEM 822 (1-3), 45-47, 2007 | 22 | 2007 |
