| Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, 13C, 1H, UV) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 4-[(4-aminobenzene … S Muthu, JU Maheswari Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 92, 154-163, 2012 | 166 | 2012 |
| Ultrasonic and theoretical studies of some ternary liquid mixtures at various temperatures T Sumathi, JU Maheswari CSIR, 2009 | 71 | 2009 |
| Quantum mechanical, spectroscopic studies (FT-IR, FT-Raman, NMR, UV) and normal coordinates analysis on 3-([2-(diaminomethyleneamino) thiazol-4-yl] methylthio)-N … S Muthu, JU Maheswari, T Sundius Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 108, 307-318, 2013 | 70 | 2013 |
| Vibrational spectroscopic investigation on the structure of 2-ethylpyridine-4-carbothioamide” , SK Muthu, Uma Maheswari.J Spectrochimica Acta Part A, 214– 222, 2012 | 66 | 2012 |
| Molecular structural, non-linear optical, second order perturbation and Fukui studies of Indole-3-Aldehyde using density functional calculations S Muthu, JU Maheswari, T Sundius Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 106, 299-309, 2013 | 37 | 2013 |
| QM/MM methodology, docking and spectroscopic (FT-IR/FT-Raman, NMR, UV) and Fukui function analysis on adrenergic agonist JU Maheswari, S Muthu, T Sundius Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 137, 841-855, 2015 | 28 | 2015 |
| An experimental and theoretical study of the vibrational spectra and structure of Isosorbide dinitrate JU Maheswari, S Muthu, T Sundius Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 109, 322-330, 2013 | 21 | 2013 |
| Density functional theory and Ab initio studies of vibrational spectroscopic (FT-IR, FT-Raman and UV) first order hyperpolarizabilities, NBO, HOMO–LUMO and TD-DFT analysis of … G Ramachandran, S Muthu, JU Maheswari Solid state sciences 16, 45-52, 2013 | 20 | 2013 |
| Spectroscopic studies, potential energy surface and molecular orbital calculations of pramipexole S Muthu, JU Maheswari, S Srinivasan Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 115, 64-73, 2013 | 17 | 2013 |
| Molecular structure, vibrational spectral, electron density analysis on linaloe oil and molecular docking efficacy against the therapeutic target on human immunodeficiency … CU Maheswari Heliyon 10 (4), e26274-e26274, 2024 | 11 | 2024 |
| Computational biology of antibody epitope, tunnels and pores analysis of protein glutathione S-transferase P, and quantum mechanics UM Chandramohan Biochemistry and Biophysics Reports 36, 101581, 2023 | 9 | 2023 |
| QM, Fukui function, molecular docking, molecular dynamics investigation on Human Estrogen Receptor (HER) with Clioquinol CU Maheswari Chemical Physics Impact 8, 100570, 2024 | 8 | 2024 |
| Computational, reactivity, fukui function, molecular docking, and spectroscopic studies of a novel (E)-1-Benzyl-3-(2-(Pyrindin-2-yl) Hydrazono) Indolin-2-One D Divya, V Srinivasan, A Prabakaran, C Uma Maheswari, T Rajamani, ... Polycyclic Aromatic Compounds 44 (9), 6263-6283, 2024 | 6 | 2024 |
| QM, molecular docking and molecular dynamics investigation on acidic phospholipase A2 2 protein and acidic phospholipase A2 3 protein with silane dimethyl UM Chandramohan, P Katta, A Prabakaran, M Prasath Chemical Physics Impact 8, 100615, 2024 | 6 | 2024 |
| Combined quantum-mechanics/molecular-mechanics, molecular docking studies on hemorrhoid drug Uma Maheswari Chandramohan, S. Muthu,T.Sundius Results in Chemistry 5, 100962, 2023 | 6 | 2023 |
| Molecular docking, spectroscopic studies and quantum calculations on nootropic drug JU Maheswari, S Muthu, T Sundius Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 123, 503-510, 2014 | 6 | 2014 |
| Computational insight into the spectroscopic and molecular docking analysis of estrogen receptor with ligand 2, 3-dimethyl-N [2-(hydroxy) benzylidene] aniline A Prabakaran, CU Maheswari, N ISSAOUI, OM Al-Dossary, T Rajamani, ... Journal of King Saud University-Science 36 (6), 103196, 2024 | 5 | 2024 |
| THERMOCHEMICAL INVESTIGATIONS AND VIBRATIONAL SPECTROSCOPIC STUDIES OF1, 4-BENZODIAZEPINES USING AB INITIO AND DFT METHODS. S Muthu, M Prasath Annals of the Faculty of Engineering Hunedoara-International Journal of …, 2012 | 1 | 2012 |
| Electromagnetism, Optics, Acoustics, Heat Transfer, Classical Mechanics and Fluid Dynamics-Ultrasonic and theoretical studies of some ternary liquid mixtures at various … T Sumathi, JU Maheswari Indian Journal Of Pure & Applied Physics 47 (11), 782, 2009 | 1 | 2009 |
| Spectral characterization, quantum chemical calculations and molecular dynamics investigation of 2, 3-Dimethyl-N-[2-(Nitro) benzylidene] aniline targeting BRCA1 protein in … RT Usha, A Prabakaran, UM Chandramohan, V Vetrivelan Journal of the Indian Chemical Society 101 (12), 101483, 2024 | | 2024 |
