| Detailed spectra, electronic properties, qualitative non-covalent interaction analysis, solvatochromism, docking and molecular dynamics simulations in different solvent … T Pooventhiran, U Bhattacharyya, DJ Rao, V Chandramohan, ... Structural Chemistry 31, 2475-2485, 2020 | 56 | 2020 |
| Quasi liquid Schiff bases from trans-2-hexenal and cytosine and l-leucine with potential antieczematic and antiarthritic activities: Synthesis, structure and quantum mechanical … P Surendar, T Pooventhiran, S Rajam, U Bhattacharyya, MA Bakht, ... Journal of Molecular Liquids 334, 116448, 2021 | 50 | 2021 |
| Structural aspects, conformational preference and other physico-chemical properties of Artesunate and the formation of self-assembly with graphene quantum dots: a first … T Pooventhiran, N Al-Zaqri, A Alsalme, U Bhattacharyya, R Thomas Journal of Molecular Liquids 325, 114810, 2021 | 49 | 2021 |
| Structural aspects, reactivity analysis, wavefunction based properties, cluster formation with helicene and subsequent detection from surface enhancement in Raman spectra of … T Pooventhiran, R Thomas, U Bhattacharyya, S Sowrirajan, A Irfan, ... Vietnam Journal of Chemistry 59 (6), 887-901, 2021 | 25 | 2021 |
| Structural investigations, quantum mechanical studies on proton and metal affinity and biological activity predictions of selpercatinib N Al-Zaqri, T Pooventhiran, FA Alharthi, U Bhattacharyya, R Thomas Journal of Molecular Liquids 325, 114765, 2021 | 25 | 2021 |
| Energy and Reactivity Profile and Proton Affinity Analysis of Rimegepant with Special Reference to its Potential Activity against SARS-Cov-2 Virus Proteins using Molecular Dynamics T Pooventhiran, EF Marondedze, PP Govender, U Bhattacharyya, DJ Rao, ... Journal of Molecular Modelling 27, 276, 2021 | 20 | 2021 |
| Detailed structural examination, quantum mechanical studies of the aromatic compound solarimfetol and formation of inclusion compound with cucurbituril T Pooventhiran, M Cheriet, U Bhattacharyya, A Irfan, R Puchta, ... Polycyclic Aromatic Compounds 42 (8), 5443-5455, 2022 | 16 | 2022 |
| Adsorption of the drug bempedoic acid over different 2D/3D nanosurfaces and enhancement of Raman activity enabling ultrasensitive detection: First principle analysis U Bhattacharyya, T Pooventhiran, R Thomas Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 254, 119630, 2021 | 14 | 2021 |
| The proton sponge 1, 8-bis (dimethylamino) naphthalene: The quicker-picker-upper also for s-block metal cations? U Bhattacharyya, R Thomas, R Puchta Chemical Physics Letters 777, 138735, 2021 | 6 | 2021 |
Renjith ThomasSt Berchmans College, Associate Professor of Chemistry在 sbcollege.ac.in 的电子邮件经过验证
