| Issue Date | Title | Author(s) | Type | Мp-cat. |
| 2018 | 4-[(4-Acetylphenyl)amino]-2-methylidene-4-oxobutanoic acid, a newly synthesized amide with hydrophilic and hydrophobic segments: Spectroscopic characterization and investigation of reactive properties | Sheena Mary; Al Abdullah E.; Aljohar H.; Narayana B.; Nayak P.; Sarojini B.K.; Armaković Stevan   ; Armaković Sanja ; Van Alsenoy C.; El Emam Ali | Article | |
| 2022 | Insights into the reactivity properties, docking, DFT and MD simulations of orphenadrinium dihydrogen citrate in different solvents | S.Al-Otaibi Jamelah; Mary Y. Sheena; Mary Y. Shyma; Armaković Sanja ; Armaković Stevan ; Van Alsenoy C.; Yathirajan H. S. | Article | |
| 2018 | Spectroscopic analysis of 8-hydroxyquinoline derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations | Sureshkumar B.; Sheena Mary; Resmi K.S.; Cyohannan Yohannan Panicker; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C.; Narayana B.; Suma S. | Article | |
| 2017 | Spectroscopic characterization of 4-[2-(5-Ethylpyridin-2-yl)ethoxy] benzaldehyde oxime and investigation of its reactive properties by DFT calculations and molecular dynamics simulations | Jalaja K; Sheena Mary; Cyohannan Yohannan Panicker; Armaković Stevan ; Armaković Sanja ; Sagar B.K; Girisha M; Yathirajan H.S.; Van Alsenoy C. | Article | |
| 2022 | Spectroscopic investigations, DFT calculations, molecular docking and MD simulations of 3-[(4-Carboxyphenyl) carbamoyl]-4-hydroxy-2-oxo-1, 2-dihydroxy quinoline-6-carboxylic acid | Ranjith P.K.; Ignatious A.; Cyohannan Yohannan Panicker; Sureshkumar B.; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C.; Anto P.L. | Article | |
| 2017 | Synthesis, crystal structure analysis, spectral investigations, DFT computations and molecular dynamics and docking study of 4-benzyl-5-oxomorpholine-3-carbamide, a potential bioactive agent | Murthy Krishna; Sheena Mary; Shyma Mary; Cyohannan Yohannan Panicker; Suneeth V.; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C.; Suchetan P.A. | Article | |
| 2018 | Understanding reactivity of two newly synthetized imidazol derivatives by spectroscopic characterization and computational study | Hossain Mossaraf; Thomas Renjith; Sheena Mary; Resmi K.S.; Armaković Stevan ; Armaković Sanja ; Kumar Ashis Nanda; Vijayakumar G.; Van Alsenoy C. | Article | |
| 2017 | Vibrational spectroscopic analysis, molecular dynamics simulations and molecular docking study of 5-nitro 2-phenoxymethyl benzimidazole | Menon Vidya V; Foto Egemen; Mary Sheena; Karatas Esin; Cyohannan Yohannan Panicker; Yalcin Gozde; Armaković Stevan ; Armaković Sanja ; Van Alsenoy C.; Yildiz Ilkay | Article | |