| Experimental and theoretical (FT-IR, FT-Raman, UV–vis, NMR) spectroscopic analysis and first order hyperpolarizability studies of non-linear optical material:(2E)-3-[4 … A Kumar, V Deval, P Tandon, A Gupta, ED D’silva Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 130, 41-53, 2014 | 91 | 2014 |
| Molecular structure, spectroscopic (FT-IR, FT Raman, UV, NMR and THz) investigation and hyperpolarizability studies of 3-(2-Chloro-6-fluorophenyl)-1-(2-thienyl) prop-2-en-1-one R Kumar, A Kumar, V Deval, A Gupta, P Tandon, PS Patil, P Deshmukh, ... Journal of Molecular Structure 1129, 292-304, 2017 | 43 | 2017 |
| Molecular structure, nonlinear optical studies and spectroscopic analysis of chalcone derivative (2E)-3-[4-(methylsulfanyl) phenyl]-1-(3-bromophenyl) prop-2-en-1-one by DFT … A Kumar, R Kumar, A Gupta, P Tandon, ED D'silva Journal of Molecular Structure 1150, 166-178, 2017 | 36 | 2017 |
| Molecular structure (monomeric and dimeric) and hydrogen bonds in 5-benzyl 2-thiohydantoin studied by FT-IR and FT-Raman spectroscopy and DFT calculations V Deval, A Kumar, V Gupta, A Sharma, A Gupta, P Tandon, KK Kunimoto Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 132, 15-26, 2014 | 25 | 2014 |
| Conformational stability, spectroscopic signatures and biological interactions of proton pump inhibitor drug lansoprazole based on structural motifs M Agrawal, A Kumar, A Gupta RSC advances 7 (66), 41573-41584, 2017 | 12 | 2017 |
| Vibrational spectroscopic characterization, electronic absorption, optical nonlinearity computation and terahertz investigation of (2E) 3-(4-ethoxyphenyl)-1-(3-bromophenyl … P Singh, A Kumar, A Gupta, PS Patil, S Prabhu, CS Garde Journal of Molecular Structure 1198, 126909, 2019 | 10 | 2019 |
| Spectroscopic investigation and density functional theory prediction of first and second order hyperpolarizabilities of 1-(4-bromophenyl)-3-(2, 4-dichlorophenyl)‑prop-2-en-1-one P Singh, A Kumar, A Gupta, PS Patil Journal of Molecular Structure 1269, 133807, 2022 | 8 | 2022 |
| Spectroscopic and quantum chemical study on a non-linear optical material 4-[(1E)-3-(5-chlorothiophen-2-yl)-3-oxoprop-1-en-1-yl] phenyl4-methylbenzene-1-sulfonate R Kumar, T Karthick, A Srivastava, D Gangopadhyay, V Parol, P Tandon, ... Journal of Molecular Structure 1248, 131540, 2022 | 4 | 2022 |
| Spectroscopic (FT-IR, FT-Raman, UV-vis and NMR) Investigation, Molecular Structure, Docking and Chemical Reactivity Elucidation of Antifungal Drug Tioconazole Reena, A Kumar, P Singh, V Deval, A Gupta Polycyclic Aromatic Compounds 44 (3), 1644-1668, 2024 | | 2024 |
