| 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 | 90 | 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 | 80 | 2019 |
| 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 | 79 | 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 | 70 | 2022 |
| 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 | 69 | 2022 |
| 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 | 69 | 2020 |
| 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 | 68 | 2020 |
| 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 | 66 | 2021 |
| 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 | 63 | 2018 |
| 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 | 61 | 2019 |
| 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 | 59 | 2018 |
| 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 | 56 | 2020 |
| 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, 2019 | 56 | 2019 |
| 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 | 54 | 2022 |
| DFT and molecular docking investigations of oxicam derivatives YS Mary, YS Mary, KS Resmi, R Thomas Heliyon 5 (7), 2019 | 54 | 2019 |
| 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 | 54 | 2019 |
| 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 | 52 | 2020 |
| Quantum mechanical and photovoltaic studies on the cocrystals of hydrochlorothiazide with isonazid and malonamide JS Al-Otaibi, YS Mary, YS Mary, R Thomas Journal of Molecular Structure 1197, 719-726, 2019 | 52 | 2019 |
| Spectroscopic, quantum mechanical studies, ligand protein interactions and photovoltaic efficiency modeling of some bioactive benzothiazolinone acetamide analogs YS Mary, G Yalcin, YS Mary, KS Resmi, R Thomas, T Önkol, EN Kasap, ... Chemical Papers 74, 1957-1964, 2020 | 51 | 2020 |
| Experimental and computational analysis of 1-(4-chloro-3-nitrophenyl)-3-(3, 4-dichlorophenyl) thiourea A Bielenica, S Beegum, YS Mary, YS Mary, R Thomas, S Armaković, ... Journal of Molecular Structure 1205, 127587, 2020 | 50 | 2020 |
Sheena Mary YFatima Mata National College,Kollam,University of keralaVerified email at fatimacollege.net
