| Density functional theory studies on the structure, spectra (FT-IR, FT-Raman, and UV) and first order molecular hyperpolarizability of 2-hydroxy-3-methoxy-N-(2-chloro-benzyl … P Agarwal, N Choudhary, A Gupta, P Tandon Vibrational Spectroscopy 64, 134-147, 2013 | 57 | 2013 |
| Quantum chemical study on influence of intermolecular hydrogen bonding on the geometry, the atomic charges and the vibrational dynamics of 2, 6-dichlorobenzonitrile P Agarwal, S Bee, A Gupta, P Tandon, VK Rastogi, S Mishra, P Rawat Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 121, 464-482, 2014 | 44 | 2014 |
| Use of vibrational spectroscopy to study 2-[4-(N-dodecanoylamino) phenyl]-5-(4-nitrophenyl)-1, 3, 4-oxadiazole: A combined theoretical and experimental approach S Bee, P Agarwal, A Gupta, P Tandon Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 114, 236-255, 2013 | 23 | 2013 |
| Structural and vibrational characteristics of a non-linear optical material 3-(4-nitrophenyl)-1-(pyridine-3-yl) prop-2-en-1-one probed by quantum chemical computation and … R Kumar, T Karthick, P Tandon, P Agarwal, AP Menezes, A Jayarama Journal of Molecular Structure 1164, 180-190, 2018 | 16 | 2018 |
| Quantum chemical calculations of conformation, vibrational spectroscopic, electronic, NBO and thermodynamic properties of 2,2-dichloro-N-(2,3-dichlorophenyl) acetamide … N Choudhary, P Agarwal, A Gupta, P Tandon Computational and Theoretical Chemistry 1032, 27-41, 2014 | 16 | 2014 |
| Characterization and intramolecular bonding patterns of busulfan: Experimental and quantum chemical approach T Karthick, P Tandon, S Singh, P Agarwal, A Srivastava Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 173, 390-399, 2017 | 13 | 2017 |
| Combine experimental and theoretical investigation on an alkaloid–dimethylisoborreverine S Singh, H Singh, T Karthick, P Agarwal, RD Erande, DH Dethe, ... Journal of Molecular Structure 1103, 187-201, 2016 | 8 | 2016 |
| Heat capacity and phonon dispersion in polyselenophene in relation to the spectra of oligoselenophenes A Gupta, N Choudhary, P Agarwal, P Tandon, VD Gupta Synthetic metals 162 (3-4), 314-325, 2012 | 6 | 2012 |
| Heat capacity and vibrational dynamics of polyvinylidene fluoride (β-form) A Gupta, P Agarwal, S Bee, P Tandon, VD Gupta Polymer Science Series A 53, 375-384, 2011 | 6 | 2011 |
| Structural and spectroscopic analysis of indole alkaloids: Molecular docking and DFT approach H Singh, S Singh, P Agarwal, P Tandon, RD Erande, DH Dethe Journal of Molecular Structure 1153, 262-274, 2018 | 2 | 2018 |
| Vibrational dynamics and heat capacity of polychloroprene A Gupta, P Agarwal, N Choudhary, P Tandon, VD Gupta Journal of Applied Polymer Science 121 (1), 186-195, 2011 | 2 | 2011 |
| Phonon dispersion and specific heat in trans 1,4, poly (2,3-dimethylbutadiene) A Gupta, S Bee, P Agarwal, P Tandon, VD Gupta Journal of materials science 46, 3452-3463, 2011 | 1 | 2011 |
| Density Functional Theory (DFT) Study on the Nontoxic Alternative of Bisphenol A (BPA) Derivatives: A Comprehensive Review P Agarwal, A Kumar Macromolecular Symposia 413 (5), 2400090, 2024 | | 2024 |
Poonam TandonLucknow UniversityVerified email at lkouniv.ac.in
