Molecular Dynamics Simulation of Molten NiF2: Structure and Physicochemical Properties von Kobelev, M. A., Zakir’yanov, D. O., Tukachev, V. A.

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Local Structure of Molten Lithium Fluoride. II. Structure Factor Calculation by Ab Initio and Classical Molecular Dynamics Methods von Kobelev, M. A., Zakir’yanov, D. O., Tkachev, N. K.

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Local Structure of Molten Lithium Fluoride. I. Ab Initio and Molecular Dynamics Calculations of Three-Particle and Radial Functions von Zakir’yanov, D. O., Kobelev, M. A., Tkachev, N. K.

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Specific features of magnetic and electrical hyperfine interactions in titanates according to ab initio calculations von Agzamova, P. A., Leskova, Yu. V., Petrov, V. P., Chernyshev, V. A., Zakir’yanov, D. O., Nikiforov, A. E.

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Melting properties of sodium halides: molecular dynamics simulation von Zakiryanov, D O, Kobelev, M A, Tkachev, N K

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Thermal Conductivity of Alkali Metal Chlorides: Calculation with Molecular Dynamics Method von Zakiryanov, D. O., Tkachev, N. K.

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Phonon spectrum of lead oxychloride Pb3O2Cl2: Ab initio calculation and experiment von Zakir’yanov, D. O., Chernyshev, V. A., Zakir’yanova, I. D.

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Applying the Born-Mayer model to describe the physicochemical properties of FLiNaK ternary melt von Zakiryanov, D.O.

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The FLiNaK-CeF3 molten mixture: A comprehensive structure examination by means of ab initio molecular dynamics von Zakiryanov, D.O.

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Lattice dynamics of Cs2NaYbF6 and Cs2NaYF6 elpasolites: Ab initio calculation von Chernyshev, V. A., Petrov, V. P., Nikiforov, A. E., Zakir’yanov, D. O.

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Effect of pressure on the lattice structure and dynamics of elpasolites Cs2NaRF6 (R = Y, Yb): ab initio calculation von Chernyshev, V. A., Petrov, V. P., Nikiforov, A. E., Zakir’yanov, D. O.

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Reaction Mechanism of Lead(II) Oxide With A PbCl2–CsCl Melt According to Raman Spectroscopic Data von Zakir′yanova, I. D., Arkhipov, P. A., Zakir′yanov, D. O.

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Ab initio calculation of the structure and optical properties of lead oxyhalides Pb3O2 X 2 (X = Cl, Br, I) von Zakiryanov, D. O., Chernyshev, V. A., Zakiryanova, I. D., Yaroslavtseva, T. V.

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Ab initio calculation of the structure and optical properties of lead oxyhalides Pb3O2X2 (X = Cl, Br, I) von Zakiryanov, D. O., Chernyshev, V. A., Zakiryanova, I. D., Yaroslavtseva, T. V.

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Local structure and dynamics of ions in LiCl-GdCl3, KCl-GdCl3 and LiCl-GdCl3-Gd2O3 melts: Ab initio molecular dynamics simulations and Raman spectroscopy von Zakiryanova, Irina D., Zakiryanov, Dmitry O., Zakiryanov, Petr O.

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Ab initio molecular dynamics simulations and Raman spectra of the YbCl3 - KCl and Yb2O3 - YbCl3 - KCl ionic melts von Zakiryanova, Irina D., Zakiryanov, Dmitry O.

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Study of local structure and ion dynamics in GdCl3 - Gd2O3 and KCl - GdCl3 - Gd2O3 melts: In situ Raman spectroscopy and ab initio molecular dynamics von Zakiryanov, Dmitry O., Zakiryanova, Irina D., Tkachev, Nikolai K.

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