| Quinoline derivatives as possible lead compounds for anti-malarial drugs: Spectroscopic, DFT and MD study B Sureshkumar, YS Mary, CY Panicker, S Suma, S Armaković, ... Arabian Journal of Chemistry 13 (1), 632-648, 2020 | 134 | 2020 |
| FT-IR, FT-raman and SERS spectra of L-proline YS Mary, L Ushakumari, B Harikumar, HT Varghese, CY Panicker Journal of the Iranian Chemical Society 6, 138-144, 2009 | 105 | 2009 |
| 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 | 91 | 2019 |
| FT-IR, FT-Raman, SERS and computational study of 5-ethylsulphonyl-2-(o-chlorobenzyl) benzoxazole YS Mary, K Raju, I Yildiz, O Temiz-Arpaci, HIS Nogueira, CM Granadeiro, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 96, 617-625, 2012 | 88 | 2012 |
| 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 | 85 | 2020 |
| FT-IR, NBO, HOMO–LUMO, MEP analysis and molecular docking study of 1-[3-(4-Fluorophenyl)-5-phenyl-4, 5-dihydro-1H-pyrazol-1-yl] ethanone YS Mary, CY Panicker, M Sapnakumari, B Narayana, BK Sarojini, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136, 483-493, 2015 | 79 | 2015 |
| Synthesis, characterization and biological investigation of glycine-based sulfonamide derivative and its complex: Vibration assignment, HOMO–LUMO analysis, MEP and molecular … P Shafieyoon, E Mehdipour, YS Mary Journal of Molecular Structure 1181, 244-252, 2019 | 78 | 2019 |
| Vibrational spectroscopic studies, Fukui functions, HOMO-LUMO, NLO, NBO analysis and molecular docking study of (E)-1-(1, 3-benzodioxol-5-yl)-4, 4-dimethylpent-1-en-3-one, a … RI Al-Wabli, KS Resmi, YS Mary, CY Panicker, MI Attia, AA El-Emam, ... Journal of Molecular Structure 1123, 375-383, 2016 | 76 | 2016 |
| Molecular structure, FT-IR, vibrational assignments, HOMO–LUMO analysis and molecular docking study of 1-[5-(4-Bromophenyl)-3-(4-fluorophenyl)-4, 5-dihydro-1H-pyrazol-1-yl … YS Mary, CY Panicker, M Sapnakumari, B Narayana, BK Sarojini, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136, 473-482, 2015 | 76 | 2015 |
| 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 |
| Vibrational spectra, HOMO, LUMO, NBO, MEP analysis and molecular docking study of 2, 2-diphenyl-4-(piperidin-1-yl) butanamide YS Mary, HT Varghese, CY Panicker, M Girisha, BK Sagar, HS Yathirajan, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 150, 543-556, 2015 | 69 | 2015 |
| 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 |
| Vibrational spectroscopic studies and ab initio calculations of 5-nitro-2-(p-fluorophenyl) benzoxazole YS Mary, HT Varghese, CY Panicker, T Ertan, I Yildiz, O Temiz-Arpaci Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 71 (2 …, 2008 | 66 | 2008 |
| Molecular dynamic simulations, ALIE surface, Fukui functions geometrical, molecular docking and vibrational spectra studies of tetra chloro p and m-xylene G Venkatesh, C Kamal, P Vennila, M Govindaraju, YS Mary, S Armakovic, ... Journal of Molecular Structure 1171, 253-267, 2018 | 64 | 2018 |
| Molecular structure, FT-IR, NBO, HOMO and LUMO, MEP and first order hyperpolarizability of (2E)-1-(2, 4-Dichlorophenyl)-3-(3, 4, 5-trimethoxyphenyl) prop-2-en-1-one by HF and … YS Mary, CY Panicker, PL Anto, M Sapnakumari, B Narayana, BK Sarojini Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 135, 81-92, 2015 | 63 | 2015 |
| Spectroscopic investigations, NBO, HOMO–LUMO, NLO analysis and molecular docking of 5-(adamantan-1-yl)-3-anilinomethyl-2, 3-dihydro-1, 3, 4-oxadiazole-2-thione, a potential … FAM Al-Omary, YS Mary, CY Panicker, AA El-Emam, IA Al-Swaidan, ... Journal of Molecular Structure 1096, 1-14, 2015 | 61 | 2015 |
| 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 | 60 | 2021 |
| Vibrational spectroscopic, molecular structure, first hyperpolarizability and NBO studies of 4′-methylbiphenyl-2-carbonitrile M Kaur, YS Mary, HT Varghese, CY Panicker, HS Yathirajan, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 98, 91-99, 2012 | 60 | 2012 |
Stevan Armaković, PhDUniversity of Novi Sad, Faculty of Sciences, Department of PhysicsVerified email at df.uns.ac.rs
