| 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 | 60 | 2019 |
| 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 | 41 | 2014 |
| 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 |
| Study on molecular structure, spectroscopic behavior, NBO, and NLO analysis of 3-methylbezothiazole-2-thione S Chand, FAM Al-Omary, AA El-Emam, VK Shukla, O Prasad, L Sinha Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 146, 129-141, 2015 | 22 | 2015 |
| Spectroscopic (FT-IR, FT-Raman, and UV–visible) and quantum chemical studies on molecular geometry, Frontier molecular orbitals, NBO, NLO and thermodynamic properties of 1 … VK Shukla, ES Al-Abdullah, AA El-Emam, AK Sachan, SK Pathak, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 133, 626-638, 2014 | 21 | 2014 |
| Conformational search, spectral analysis and electronic properties of 5-(4-Pyridinyl)-1, 3, 4-thiadiazol-2-amine VK Shukla, MA Al-Alshaikh, AA El-Emam, AK Sachan, R Srivastava, ... Journal of Molecular Structure 1108, 112-125, 2016 | 8 | 2016 |
| Prediction of molecular properties and spectroscopic profile of Riluzole with different functionals (B3LYP, M06-2X, MPWLYP): A combined theoretical and experimental study VK Shukla, AK Sachan, SK Pathak, R Srivastava, O Prasad, L Sinha Journal of Molecular Structure 1106, 265-276, 2016 | 8 | 2016 |
| 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, ... Spectrochim. Acta-Part A Mol. Biomol. Spectrosc 123, 352-362, 2014 | 6 | 2014 |
| Conformational and spectroscopic behaviors of 2, 4-xylyl isothiocyanate M Cinar, M Karabacak, S Chand, VK Shukla, L Sinha, O Prasad, ... Journal of Molecular Structure 1087, 113-120, 2015 | 5 | 2015 |
| Structural, vibrational, and electronic properties of Succinimide, N-Hydroxy Succinimide and N-Methyl Succinimide by density functional theory: A comparative study AK Sachan, S Chand, R Srivastava, VK Shukla, SK Pathak, A Kumar, ... J. Chem. Pharm. Res. 6, 211-227, 2014 | 5 | 2014 |
| Spectroscopic, electronic structure, molecular docking, and molecular dynamics simulation study of 7-Trifluoromethyl-1H-indole-2-carboxylic acid as an aromatase inhibitor I Singh, R Srivastava, VK Shukla, SK Pathak, T Burman, AA Al-Mutairi, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 280, 121530, 2022 | 4 | 2022 |
| Quantum chemical study of molecular structure, non-linear optical and vibrational properties of pyridine and pentachloropyridine S Chand, SK Pathak, AK Sachan, R Srivastava, VK Shukla, V Narayan, ... J. Chem. Pharma. Res 6 (3), 1434-1444, 2014 | 3 | 2014 |
| Synthesis, Spectroscopic Analysis, Molecular Docking, Molecular Dynamics Simulation of 5-(Adamantan-1-yl)-4-(3-Chlorophenyl)-2,4-Dihydro-3H-1,2,4-Triazole-3 … AS Abdelrazeq, HA Ghabbour, LH Al-Wahaibi, MSM Abdelbaky, ... Polycyclic Aromatic Compounds 44 (4), 2553-2575, 2024 | 1 | 2024 |
| Vibrational analysis and electronic structure Calculations of small organic molecules using first Principles VK Shukla Lucknow, 2015 | 1 | 2015 |
| A comprehensive analysis of the spectroscopic and drug-like properties of dimethyl 5- hydroxybenzene-1,3-dicarboxylate: insights from DFT and MD simulations OPLS Mamta Pal, Anushree Maurya, Raj Shukla, Zohra Siddiqui, Shilendra Kumar ... Molecular Simulation 50 (15), 1246-1261, 2024 | | 2024 |
| Structural Characterization, Spectroscopic Profile, Molecular Docking, ADMET Properties, Molecular Dynamics Simulation Studies, and Molecular Mechanics Generalized Born Surface … LH Al-Wahaibi, AA El-Emam, M SM Abdelbaky, S Garcia-Granda, ... ACS Omega, 2024 | | 2024 |
| A 0.5V TRANSCONDUCTANCE ENHANCED RFC (TRFC) OTA S Dr vikas Kumar shukla International Journal of Mechanical Engineering 7 (Special Issue 5,), 669-678, 2022 | | 2022 |
| THE BASICS OF PLASMA BOUNDARIES VK Shukla HANDBOOK OF, 32, 0 | | |
| THE CONCEPT OF PLASMA WAVES VK Shukla HANDBOOK OF, 64, 0 | | |
| AN OVERVIEW ON THE PLASMA BOUNDARIES VK Shukla HANDBOOK OF, 72, 0 | | |
Onkar PrasadUniversity of Lucknow在 lkouniv.ac.in 的电子邮件经过验证
