Showing results 68 to 72 of 72
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Issue Date | Title | Author(s) |
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. |