| An in-depth study of the synthesis, electronic framework, and pharmacological profiling of 1-(anthracen-9-yl)-N-(4-nitrophenyl) methanimine: In vitro and in silico … KJ Rajimon, N Sreelakshmi, DSR Nair, NF Begum, R Thomas Chemical Physics Impact 8, 100462, 2024 | 1 | 2024 |
| Integrated experimental and computational study of a fluorescent Schiff base: Synthesis, characterization, electronic structure properties, and biological potentials of (1E, 1 … KJ Rajimon, DSR Nair, D Srinivasaragavan, R Thomas Chemical Physics Impact 8, 100435, 2024 | 1 | 2024 |
| Understanding the hydrogen bonding preferences and dynamics of prontosil in water and methanol G Ashok, F Thomas, R Thomas Chemical Physics Impact 8, 100453, 2024 | 2 | 2024 |
| Design, synthesis of new 4, 5-dibenzylidene-9, 10-diphenyl-1, 2, 7, 8, 9, 10 hexahydroacridine-3, 6-dione derivatives using extract of Vitexnegundo: Cytotoxic activity … P Gobinath, P Packialakshmi, G Thilagavathi, N Elangovan, R Thomas, ... Chemical Physics Impact 8, 100483, 2024 | | 2024 |
| Understanding the behavior of a potential anticancer lamotrigine in explicit solvent (water and DMSO) using quantum mechanical tools and abinitio molecular dynamics ES Aazam, R Thomas Chemical Physics Impact 8, 100404, 2024 | 2 | 2024 |
| Unveiling the multifaceted potential of (E)-N-(4-Chlorophenyl)-1-(thiophen-2-yl) methanimine with special reference to solution-state fluorescence, synthesis, electronic … KJ Rajimon, AY Alzahrani, ES Aazam, BM Abbas, P Govindarajan, ... Journal of Molecular Structure 1302, 137428, 2024 | | 2024 |
| DFT studies on mechanism of organocatalytic metal-free click 32CA reaction for synthesis of NH-1, 2, 3-triazoles MA Al-Hakim Badawi, MI Al-Zaben, R Thomas Catalysis Letters 154 (3), 1134-1141, 2024 | 1 | 2024 |
| Proton affinity Revisited: Benchmarking computational approaches for accurate predictions M Mathew, R Puchta, R Thomas Computational and Theoretical Chemistry 1233, 114477, 2024 | 1 | 2024 |
| Exploring non-covalent interactions between caffeine and ascorbic acid: their significance in the physical chemistry of drug efficacy AB Abraham, AY Alzahrani, R Thomas Zeitschrift für Physikalische Chemie 238 (2), 401-420, 2024 | 2 | 2024 |
| Quantum mechanical investigation of the mechanism of Ni (0)-catalyzed cycloaddition reaction of 2-cyclobutanone with alkyne MAAH Badawi, MI Al-Zaben, A Sotal, AY Alzahrani, A Khairbek, ... Zeitschrift für Physikalische Chemie 238 (2), 223-237, 2024 | | 2024 |
| Exploring the dynamics of halogen and hydrogen bonds in halogenated coumarins M Varghese, JM Thomas, AY Alzahrani, R Thomas Zeitschrift für Physikalische Chemie, 2024 | | 2024 |
| Exploring Non-Covalent Interactions: A Computational Study of Methyl Acetate in Chloroform and Hexafluoroisopropanol SA Sunny, R Thomas Chemical Physics Impact, 100514, 2024 | | 2024 |
| Synthesis, characterization, and electronic structure of bioactive vanillin based fluorescent Schiff bases ES Aazam, R Thomas Journal of Molecular Liquids 395, 123820, 2024 | 4 | 2024 |
| Solution stage fluorescence and anticancer properties of azomethine compounds from sulpha drugs: synthesis, experimental and theoretical insights ES Aazam, R Thomas Journal of Molecular Structure 1295, 136669, 2024 | 6 | 2024 |
| Surface adsorption of adenine on pristine and B/N/O/P-doped coronene as a biosensing substrate for DNA detection-DFT study RA Kumar, SJ Al-Otaibi, YS Mary, YS Mary, N Acharjee, R Thomas, ... Journal of Molecular Liquids 393, 123546, 2024 | 2 | 2024 |
| Computational studies on CuAAC reaction mechanism with [CuX (PPh3)]; X= I, Br, Cl for the synthesis of 4-and 5-halo-1, 2, 3-triazoles AA Khairbek, AY Alzahrani, MAAH Badawi, R Thomas Reaction Kinetics, Mechanisms and Catalysis, 1-14, 2023 | | 2023 |
| Understanding the electronic structure of the alkaloid in scorpion venom through drug adsorption and molecular docking studies on COVID-19 proteins AV Ilavarasi, F Paularokiadoss, LM Novena, T Pooventhiran, S Erkan, ... Chemical Physics Impact 7, 100289, 2023 | | 2023 |
| Synthesis, electronic structure, UV–vis, wave function, and molecular docking studies of Schiff base (Z)-N-(Thiazol-2-yl)-4-((Thiophene-2-ylmethylene) Amino) Benzenesulfonamide A Kanagavalli, G Thilagavathi, R Jayachitra, N Elangovan, S Sowrirajan, ... Polycyclic Aromatic Compounds 43 (10), 8710-8728, 2023 | 18 | 2023 |
| DFT Investigations on the Interactions Between Pyrimidine Derivatives and Ag/Au/Cu Metal Clusters: Solvation Effects and Reactivity Analysis JS Al-Otaibi, YS Mary, YS Mary, R Thomas, RA Costa Journal of Cluster Science 34 (6), 2847-2858, 2023 | 3 | 2023 |
| Pyrazole Derivative Containing Naphthalene Moiety: Cytotoxocity (Breast and Cervical Cancer), Antibacterial and Antifungal Studies Using Experimental and Theoretical Tools S Tabassum, P Thangaiyan, S Govindaraju, NK Daniel, R Thomas Polycyclic Aromatic Compounds 43 (9), 8544-8561, 2023 | | 2023 |
Sheena Mary YFatima Mata National College,Kollam,University of keralaVerified email at fatimacollege.net
