| Synthesis and spectroscopic study of three new oxadiazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential YS Mary, PB Miniyar, YS Mary, KS Resmi, CY Panicker, S Armaković, ... Journal of Molecular Structure 1173, 469-480, 2018 | 93 | 2018 |
| Two neoteric pyrazole compounds as potential anti-cancer agents: synthesis, electronic structure, physico-chemical properties and docking analysis R Thomas, YS Mary, KS Resmi, B Narayana, BK Sarojini, G Vijayakumar, ... Journal of Molecular Structure 1181, 455-466, 2019 | 92 | 2019 |
| Synthesis of Schiff base (E)-4-((2-hydroxy-3, 5-diiodobenzylidene) amino)-N-thiazole-2-yl) benzenesulfonamide with antimicrobial potential, structural features, experimental … N Elangovan, R Thomas, S Sowrirajan Journal of Molecular Structure 1250, 131762, 2022 | 88 | 2022 |
| Synthesis, spectral properties, chemical descriptors and light harvesting studies of a new bioactive azo imidazole compound VS Kumar, YS Mary, K Pradhan, D Brahman, YS Mary, R Thomas, ... Journal of Molecular Structure 1199, 127035, 2020 | 86 | 2020 |
| Synthesis of a versatile Schiff base 4-((2-hydroxy-3, 5-diiodobenzylidene) amino) benzenesulfonamide from 3, 5-diiodosalicylaldehyde and sulfanilamide, structure, electronic … N Elangovan, B Gangadharappa, R Thomas, A Irfan Journal of Molecular Structure 1250, 131700, 2022 | 83 | 2022 |
| Synthesis, spectral and quantum mechanical studies and molecular docking studies of Schiff base (E) 2-hydroxy-5-(((4-(N-pyrimidin-2-yl) sulfamoyl) phenyl) imino) methyl benzoic … N Elangovan, R Thomas, S Sowrirajan, A Irfan Journal of the Indian Chemical Society 98 (10), 100144, 2021 | 81 | 2021 |
| Structural and physico-chemical evaluation of melatonin and its solution-state excited properties, with emphasis on its binding with novel coronavirus proteins N Al-Zaqri, T Pooventhiran, A Alsalme, I Warad, AM John, R Thomas Journal of Molecular Liquids 318, 114082, 2020 | 73 | 2020 |
| Exploring the detailed spectroscopic characteristics, chemical and biological activity of two cyanopyrazine-2-carboxamide derivatives using experimental and theoretical tools S Beegum, YS Mary, YS Mary, R Thomas, S Armaković, SJ Armaković, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 224, 117414, 2020 | 71 | 2020 |
| Spectroscopic analysis and molecular docking of imidazole derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations R Thomas, M Hossain, YS Mary, KS Resmi, S Armaković, SJ Armaković, ... Journal of Molecular Structure 1158, 156-175, 2018 | 69 | 2018 |
| Synthesis, spectral characterization, electronic structure and biological activity screening of the schiff base 4-((4-hydroxy-3-methoxy-5-Nitrobenzylidene) Amino)-N-(Pyrimidin … N Elangovan, R Thomas, S Sowrirajan, KP Manoj, A Irfan Polycyclic Aromatic Compounds 42 (10), 6818-6835, 2022 | 67 | 2022 |
| Synthesis and spectroscopic study of two new pyrazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential R Thomas, YS Mary, KS Resmi, B Narayana, SBK Sarojini, S Armaković, ... Journal of Molecular Structure 1181, 599-612, 2019 | 67 | 2019 |
| Schiff bases from chlorine substituted anilines and salicylaldehyde: Synthesis, characterization, fluorescence, thermal features, biological studies and electronic structure … KJ Rajimon, N Elangovan, AA Khairbek, R Thomas Journal of Molecular Liquids 370, 121055, 2023 | 65 | 2023 |
| Synthesis, characterization, vibrational analysis and computational studies of a new Schiff base from pentafluoro benzaldehyde and sulfanilamide OAA Ali, N Elangovan, SF Mahmoud, MS El-Gendey, HZE Elbasheer, ... Journal of Molecular Structure 1265, 133445, 2022 | 61 | 2022 |
| Theoretical studies on the structure and various physico-chemical and biological properties of a terphenyl derivative with immense anti-protozoan activity YS Mary, YS Mary, R Thomas, B Narayana, S Samshuddin, BK Sarojini, ... Polycyclic Aromatic Compounds 41 (4), 825-840, 2021 | 61 | 2021 |
| Understanding reactivity of two newly synthetized imidazole derivatives by spectroscopic characterization and computational study M Hossain, R Thomas, YS Mary, KS Resmi, S Armaković, SJ Armaković, ... Journal of molecular structure 1158, 176-196, 2018 | 60 | 2018 |
| Phenolic and flavonoid contents in Malva sylvestris and exploration of active drugs as antioxidant and anti-COVID19 by quantum chemical and molecular docking studies A Irfan, M Imran, M Khalid, MS Ullah, N Khalid, MA Assiri, R Thomas, ... Journal of Saudi Chemical Society 25 (8), 101277, 2021 | 59 | 2021 |
| 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 | 59 | 2020 |
| Synthesis, spectral analysis, antibacterial activity, quantum chemical studies and supporting molecular docking of Schiff base (E)-4-((4-bromobenzylidene) amino) benzenesulfonamide R Muthukumar, M Karnan, N Elangovan, M Karunanidhi, R Thomas Journal of the Indian Chemical Society 99 (5), 100405, 2022 | 58 | 2022 |
| Hybrid and bioactive cocrystals of pyrazinamide with hydroxybenzoic acids: detailed study of structure, spectroscopic characteristics, other potential applications and … JS Al-Otaibi, YS Mary, S Armaković, R Thomas Journal of Molecular Structure 1202, 127316, 2020 | 58 | 2020 |
| Cocrystals of pyrazinamide with p-toluenesulfonic and ferulic acids: DFT investigations and molecular docking studies JS Al-Otaibi, YS Mary, YS Mary, CY Panicker, R Thomas Journal of Molecular Structure 1175, 916-926, 2019 | 58 | 2019 |
Sheena Mary YFatima Mata National College,Kollam,University of keralaE-mail megerősítve itt: fatimacollege.net