| Vibrational dynamics and potential energy distribution of two well-known neurotransmitter receptors: tyramine and dopamine hydrochloride SA Siddiqui, A Dwivedi, PK Singh, T Hasan, S Jain, N Sundaraganesan, ... Journal of Theoretical and Computational Chemistry 8 (03), 433-450, 2009 | 43 | 2009 |
| Quantum chemical study of Etodolac (Lodine) A Dwivedi, N Misra Der Pharma Chemica 2 (2), 58-65, 2010 | 40 | 2010 |
| Fukui function analysis and optical, electronic, and vibrational properties of tetrahydrofuran and its derivatives: A complete quantum chemical study A Dwivedi, V Baboo, A Bajpai Journal of Theoretical Chemistry 2015, 2015 | 34 | 2015 |
| Comparative conformational, structural and vibrational study on the molecular structure of tyrosine and L-DOPA using density functional theory SA Siddiqui, AK Pandey, A Dwivedi, S Jain, N Misra J. Chem. Pharm. Res 2 (4), 835-850, 2010 | 34 | 2010 |
| Structural, electronic, and vibrational properties of isoniazid and its derivative N-cyclopentylidenepyridine-4-carbohydrazide: a quantum chemical study A Bajpai, V Baboo, A Dwivedi Journal of Theoretical Chemistry 2014, 2014 | 29 | 2014 |
| Molecular docking and comparative vibrational spectroscopic analysis, HOMO-LUMO, polarizabilities, and hyperpolarizabilities of N-(4-bromophenyl)-4-nitrobenzamide by different … A Dwivedi, A Kumar Polycyclic Aromatic Compounds, 2019 | 28 | 2019 |
| Vibrational spectra, HOMO, LUMO, MESP surfaces and reactivity descriptors of amylamine and its isomers: A DFT study A Dwivedi, AK Srivastava, A Bajpai Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 149, 343-351, 2015 | 23 | 2015 |
| Molecular structure, vibrational spectra and potential energy distribution of protopine using ab initio and density functional theory SA Siddiqui, A Dwivedi, PK Singh, T Hasan, S Jain, O Prasad, N Misra Journal of Structural Chemistry 50, 411-420, 2009 | 20 | 2009 |
| Electronic structure, optical properties and vibrational analysis of 2-decenoic acid and its derivative by density functional theory A Dwivedi, AK Pandey, N Misra Spectroscopy 26 (6), 367-85, 2011 | 19 | 2011 |
| Density functional theory study on the molecular structure of loganin AK Pandey, SA Siddiqui, A Dwivedi, K Raj, N Misra Spectroscopy 25 (6), 287-302, 2011 | 17 | 2011 |
| Geometrical electronic, and vibrational properties of fullerene rings doped with transition metals N Misra, A Dwivedi, A Pandey Chin. J. Phys 50, 64-72, 2012 | 15 | 2012 |
| Comparative study of vibrational spectra of two bioactive natural products lupeol and lupenone using MM/QM method A Dwivedi, AK Pandey, K Raj, N Misra Journal of Spectroscopy 27, 155-166, 2012 | 15 | 2012 |
| Computational note on vibrational spectra of Tyramine hydrochloride: DFT study SA Siddiqui, A Dwivedi, N Misra, N Sundaraganesan Journal of Molecular Structure: THEOCHEM 847 (1-3), 101-102, 2007 | 14 | 2007 |
| Isolation, identification, molecular and electronic structure, vibrational spectroscopic investigation, and anti-HIV-1 activity of karanjin using density functional theory AK Bajpai, A Kumar, M Pal, V Baboo, A Dwivedi Journal of Theoretical Chemistry 2014, 2014 | 11 | 2014 |
| Vibrational analysis of two narcotic compounds: codeine and morphine, a comparative DFT study N Misra, A Dwivedi, AK Pandey, S Trivedi Der Pharma Chem 3 (3), 427-48, 2011 | 11 | 2011 |
| Theoretical study of transition metal oxide clusters (TMnOm)[(TM-Pd, Rh, Ru) and (n, m= 1, 2)] A Dwivedi, N Misra J. At. Mol. Sci 3, 297-307, 2012 | 10 | 2012 |
| Molecular structures, vibrational spectra, electronic properties, and molecular docking of two pyrazoline derivatives containing 1-carboxamide and 1-carbothioamide: a … A Kumar, A Dwivedi, AK Srivastava, N Misra, B Narayana, S Samshuddin, ... Polycyclic Aromatic Compounds 37 (4), 267-279, 2017 | 9 | 2017 |
| Vibrational Spectra of Two Narcotics—A DFT Study AK Pandey, A Dwivedi, SA Siddiqui, N Misra Chinese Journal of Physics 51 (3), 473-499, 2013 | 9 | 2013 |
| Structural, vibrational and electronic properties of small group IV oxide clusters in lower and higher spin state: a DFT study N Misra, A Dwivedi, AK Pandey Journal of Atomic and Molecular Sciences 3 (3), 187-196, 2012 | 9 | 2012 |
| Molecular docking, experimental FT-IR spectra, UV–Vis spectra, vibrational analysis, electronic properties, Fukui function analysis of a potential bioactive agent–Proflavine AK Pandey, DV Shukla, VN Mishra, V Singh, OP Yadav, A Dwivedi Journal of the Indian Chemical Society 99 (4), 100396, 2022 | 8 | 2022 |
Neeraj MisraProfessor of Physics,University of lucknowVerified email at lkouniv.ac.in
