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Результаты 1-10 из 72.
Найденные документы:
Предварительный просмотрДата выпускаЗаглавиеАвтор(ы)
2016Structure of N′-(adamantan-2-ylidene)benzohydrazide, a potential antibacterial agent, in solution: Molecular dynamics simulations, quantum chemical calculations and Ultraviolet–visible spectroscopy studiesAndrianov, A.M.; Kashyn, I.A.; Andrianov, V.M.; Shundalau, M.B.; Hlinisty, A.V.; Gaponenko, S.V.; Shabunya-Klyachkovskaya, E.V.; Matsukovich, A.; Al-Tamimi, A.-M.S.; El-Emam, A.A.
2016Combinatorial Broadening Mechanism of O–H Stretching Bands in H-Bonded Molecular ClustersPitsevich, G. A.; Doroshenko, I. Yu.; Pogorelov, V. E.; Pettersson, L. G. M.; Sablinskas, V.; Sapeshko, V. V.; Balevicius, V.
2011Modeling of structures and calculation of IR vibrational spectra of N, N-dimethylformamide dimers by density functional theoryShundalau, M. B.; Chybirai, P. S.; Komyak, A. I.; Zazhogin, A. P.; Ksenofontov, M. A.; Umreiko, D. S.
2020Multi-reference perturbation theory study on the RaCl molecule promising for the laser coolingOsika, Yuliya; Shundalau, Maksim
2017Quantum chemical simulation of the interaction of functional groups in polyurethanes with 3d-metal ions during their extraction from aqueous solutionsKsenofontov, M. A.; Bobkova, E. Yu.; Shundalau, M. B.; Ostrovskaya, L. E.; Vasil′eva, V. S.
2020Supramolecular chirogenesis in zinc porphyrins: Complexation with enantiopure thiourea derivatives, binding studies and chirality transfer mechanismKonrad, Nele; Meniailava, Darya; Osadchuk, Irina; Adamson, Jasper; Hasan, Mohammed; Clot, Eric; Aav, Riina; Borovkov, Victor; Kananovich, Dzmitry
2014Structure and Vibrational Spectra of Uranyl Dinitrate Complexes with Water and DMSOShundalau, M. B.; Zazhogin, A. A.; Zazhogin, A. P.; Komyak, A. I.; Umreiko, D. S.
2014Quantum Chemical Analysis of Uranium Trioxide ConformersShundalau, M. B.; Umreiko, D. S.
2011Vibrational analysis of 4, 4'-methylene diphenyl diisocyanatePitsevich, G. А.; Shundalau, Maksim; Ksenofontov, М. А.; Umreiko, D. S.
2012Computer simulation of the effect exerted by argon matrix on the internal rotation barriers and torsional states of methanol moleculePitsevich, G. А.; Shundalau, Maksim