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Общее количество найденных документов : 187
Показаны документы с 1 по 10 |
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| Юрьева Э. И. Ab initio моделирование межатомных взаимодействий в 3C-SiC:M, M = Cr, Mn, Fe, Co/Э. И. Юрьева // Журнал структурной химии, 2004. т.Т. 45,N N 2.-С.207-214: табл.
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| Atomic defects on the surface of quasi two-dimensional layered titanium dichalcogenides: STM experiment and quantum chemical simulation/A. S. Razinkin, A. N. Enyashin, T. V. Kuznetsova, A. N. Titov, M. V. Kuznetsov, A. L. Ivanovskii // Journal of Structural Chemistry, 2010. т.Vol. 51,N № 4.-С.737-743
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| Shein I. R. Atomic models of non-stoichiometric layered diboridesM1-xB2 (M = Mg, Al, Zr and Nb) from first principles/I. R. Shein, A. L. Ivanovskii // arXiv.org, e-Print Archive, Condensed Matter, 2008.-С.15 pp.
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| Enyashin A. N. Calculation of the Electronic and Thermal Properties of C/BN Nanotubular Heterostructures/A. N. Enyashin, G. Seifert, A. L. Ivanovskii // Inorganic Materials, 2005. т.Vol. 41,N № 6.-С.P. 595-603
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| Zhukov V. P. Computational methods in the theory of chemical bonding in solids/V. P. Zhukov // Journal of Structural Chemistry, 1997. т.Vol. 38,N № 3.-С.459-482
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| Defect interactions in La0.3Sr0.7Fe(M')O3-delta (M' = Al, Ga) perovskites: Atomistic simulations and analysis of p(O2)-T-delta diagrams/E. N. Naumovich, M. V. Patrakeev, V. V. Kharton, M. S. Islam, A. A. Yaremchenko, J. R. Frade, F. M. B. Marques // Solid State Ionics, 2006. т.V. 177,N N 5-6.-С.457-470
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| Electronic structure and magnetic properties of double perovskites Sr2FeMO6 (M = Sc, Ti, ..., Ni, Cu) according to the data of FLAPW-GGA band structure calculations/V. V. Bannikov, I. R. Shein, V. L. Kozhevnikov, A. L. Ivanovskii // Journal of Structural Chemistry, 2008. т.Vol. 49,N № 5.-С.781-787
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| Ivanovskaya V. V. Electronic structure of fullerenelike molecules based on TiO2, SnO2, and SnS2/V. V. Ivanovskaya, A. N. Enyashin, A. I. Ivanovskii // Journal of Structural Chemistry, 2004. т.Vol. 45,N № 1.-С.151-155
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| Ivanovskaya V. V. New quasi-one-dimensional crystals of metallocarbohedrenes (Sc,Ti,V)8C12 in (12,0) boron-nitrogen nanotubes: quantum-chemical simulation/V. V. Ivanovskaya, A. A. Sofronov, A. L. Ivanovskii // Theoretical and Experimental Chemistry, 2001. т.Vol. 37,N № 6.-С.333-337
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| Orientational ordering in A3C60: Antiferromagnetic ising model/I. I. Mazin, O. Gunnarsson, A. I. Lichtenstein, O. K. Andersen, V. P. Antropov, S. V. Burkov // Fullerenes and Atom. Clusters: Int. Workshop (St. Petersburg, 4-9 Oct., 1993): IWFAC-93: Abstr. Invited Lect. and Contrib. Pap.. -St., 1993.-С.24
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