Showing results 64 to 72 of 72
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| Issue Date | Title | Author(s) |
| 1-Jan-2017 | Theoretical investigation on the reactivity and photophysical properties of cobalt(II) and manganese(II) complexes constructed using Schiff base ligands based on ALIE and TDDFT calculations | Prasad K.; Pillai R.; Armaković, Stevan; Armaković, Stevan |
| 1-Jan-2019 | Theoretical Studies on the Structure and Various Physico-Chemical and Biological Properties of a Terphenyl Derivative with Immense Anti-Protozoan Activity | Mary Y.; Mary Y.; Thomas R.; Narayana B.; Samshuddin S.; Sarojini B.; Armaković, Stevan; Armaković, Stevan; Pillai G. |
| 5-Jun-2017 | Towards the new heterocycle based molecule: Synthesis, characterization and reactivity study | Murthy P.; Sheena Mary Y.; Suneetha V.; Panicker C.; Armaković, Stevan; Armaković, Stevan; Giri L.; Suchetan P.; Van Alsenoy C. |
| 5-Dec-2018 | Two novel imidazole derivatives – Combined experimental and computational study | Smitha M.; Mary Y.; Hossain M.; Resmi K.; Armaković, Stevan; Armaković, Stevan; Pavithran R.; Nanda A.; Van Alsenoy C. |
| 15-Apr-2018 | Understanding reactivity of two newly synthetized imidazole derivatives by spectroscopic characterization and computational study | Hossain M.; Thomas R.; Mary Y.; K.S.Resmi; Armaković, Stevan; Armaković, Stevan; Nanda A.; Vijayakumar G.; Alsenoy C. |
| 5-Nov-2018 | Vibrational and electronic absorption spectroscopic profiling, natural hybrid orbital, charge transfer, electron localization function and molecular docking analysis on 3-amino-3-(2-nitrophenyl) propionic acid | Abraham C.; Muthu S.; Prasana J.; Fathima Rizwana B.; Armaković, Stevan; Armaković, Stevan |
| 5-Mar-2017 | Vibrational spectroscopic analysis of cyanopyrazine-2-carboxamide derivatives and investigation of their reactive properties by DFT calculations and molecular dynamics simulations | Beegum S.; Mary Y.; Varghese H.; Panicker C.; Armaković, Stevan; Armaković, Stevan; Zitko J.; Dolezal M.; Van Alsenoy C. |
| 5-Feb-2017 | Vibrational spectroscopic analysis, molecular dynamics simulations and molecular docking study of 5-nitro-2-phenoxymethyl benzimidazole | Menon V.; Foto E.; Mary Y.; Karatas E.; Panicker C.; Yalcin G.; Armaković, Stevan; Armaković, Stevan; Van Alsenoy C.; Yildiz I. |
| 15-Feb-2017 | Vibrational spectroscopic investigations, molecular dynamic simulations and molecular docking studies of N'-diphenylmethylidene-5-methyl-1H-pyrazole-3-carbohydrazide | Pillai R.; Menon V.; Mary Y.; Armaković, Stevan; Armaković, Stevan; Panicker C. |