Search Results - "density functional theory method"

Quantum chemical study on the interaction of arginine with silica surface by A. A. Kravchenko, E. M. Demianenko, A. G. Grebenyuk, M. I. Terets, M. G. Portna, V. V. Lobanov

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Quantum chemical study on the interaction of carbon nanotube with polyethylene and polypropylene oligomers by M. I. Terets, E. M. Demianenko, S. V. Zhuravsky, O. A. Сhernyuk, V. S. Kuts, A. G. Grebenyuk, Yu. I. Sementsov, L. M. Kokhtych, M. T. Kartel

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Theoretical study on the effect of carbon graphenous nanoclusters on the stability and capacity of polyamide in a nanocomposite by E. M. Demianenko, M. I. Теrets, Yu. I. Sementsov, S. M. Makhno, V. S. Kuts, A. G. Grebenyuk, M. T. Kartel

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Quantum Chemical Study on Interaction of Dimethyl Carbonate with Polydimethylsiloxane by E. M. Demianenko, A. G. Grebenyuk, V. V. Lobanov, V. A. Tertykh, I. S. Protsak, Yu. M. Bolbukh, R. B. Kozakevych

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A study on the interaction of N–acetylneyramic acid with monosaccharides adsorpbted on ultrafine silica surface by L. M. Ushakova, E. M. Demianenko, M. I. Terets, V. V. Lobanov, N. T. Kartel

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Frequencies of normal vibrations of oxygen complexes on silicon (111) face by M. I. Terebinska, V. V. Lobanov, A. G. Grebenyuk

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Theoretical study on the interaction of polychlorotrifluoroethylene fragments with graphene-like planes by Yu. V. Hrebelna, E. M. Demianenko, M. I. Terets, A. G. Grebenyuk, Yu. I. Sementsov, N. V. Sigareva, S. M. Makhno, M. T. Kartel

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Thione-thiol tautomerism of thiourea ligands on silica surface by O. V. Smirnova, A. G. Grebenyuk, G. I. Nazarchuk, Yu. L. Zub

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A theoretical study on the effect of heteroatoms (N, B, Si) on the interaction of aluminum clusters with a carbon graphene-like plane by E. M. Demianenko, M. I. Terets, L. M. Ushakova, S. V. Zhuravskyi, Yu. I. Sementsov, V. V. Lobanov, O. V. Filonenko, V. S. Kuts, A. G. Grebenyuk, M. T. Kartel

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Synthesis and physico-chemical properties of high-quality expanded graphite by Yu. V. Hrebelna, E. M. Demianenko, M. I. Terets, V. V. Lobanov, S. V. Zhuravskyi, O. M. Ignatenko, K. O. Ivanenko, Yu. I. Gornikov, M. T. Kartel, Yu. I. Sementsov

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Sorption of molecular hydrogen on the graphene-like matrix doped by N- and B-atoms by M. T. Kartel, V. V. Lobanov, E. M. Demyanenko, Wang Bo, A. G. Grebenyuk, O. S. Karpenko

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