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  1. 2020

  2. Parameterization of dilute Ising model for iron-containing lanthanum gallate and aluminate solid solutions based on first-principles calculations

    Evarestov, R. A., Bandura, A. V., Sapova, M. D., Korolev, D. A. & Chezhina, N. V., May 2020, In: Solid State Ionics. 348, 8 p., 115283.

    Research output: Contribution to journal › Article › peer-review

  3. First-Principles Calculations of Phonons and Thermodynamic Properties of Zr(Hf)S2-Based Nanotubes

    Domnin, A. V., Bandura, A. V. & Evarestov, R. A., 30 Mar 2020, In: Journal of Computational Chemistry. 41, 8, p. 759-768

    Research output: Contribution to journal › Article › peer-review

  4. First-principles study on stability, structural and electronic properties of monolayers and nanotubes based on pure Mo(W)S(Se)2 and mixed (Janus) Mo(W)SSe dichalcogenides

    Evarestov, R. A., Kovalenko, A. V. & Bandura, A. V., Jan 2020, In: Physica E: Low-Dimensional Systems and Nanostructures. 115, 9 p., 113681.

    Research output: Contribution to journal › Article › peer-review

  5. 2019

  6. Expanded hexagonal nanohelicenes of zigzag morphology under elastic strain: A quantum chemical study

    Porsev, V. V., Bandura, A. V., Lukyanov, S. I. & Evarestov, R. A., Nov 2019, In: Carbon. 152, p. 755-765 11 p.

    Research output: Contribution to journal › Article › peer-review

  7. First-principles study on stability, structural and electronic properties of nanotubes based on janus Mo(W)SSe dichalcogenides

    Коваленко, А. В., Бандура, А. В. & Эварестов, Р. А., 13 Sep 2019, p. 81. 1 p.

    Research output: Contribution to conference › Abstract

  8. Magnetic properties of solid solutions LaGaxFe1-xO3 and LaAlxFe1-xO3: first-principles study

    Sapova, M., Bandura, A., Evarestov, R., Korolev, D. & Chezhina, N., 12 Feb 2019, In: Integrated Ferroelectrics. 196, 1, p. 1-6 6 p.

    Research output: Contribution to journal › Article › peer-review

  9. 2018

  10. Calculation of Young’s Modulus of MoS 2 -Based Single-Wall Nanotubes Using Force-Field and Hybrid Density Functional Theory

    Bandura, A. V., Lukyanov, S. I., Evarestov, R. A. & Kuruch, D. D., 1 Dec 2018, In: Physics of the Solid State. 60, 12, p. 2551-2558 8 p.

    Research output: Contribution to journal › Article › peer-review

  11. New Force Field for Simulating Multi-Walled Tubes Based on MoS 2

    Bandura, A. V., Lukyanov, S. I. & Evarestov, R. A., 1 Dec 2018, In: Russian Journal of General Chemistry. 88, 12, p. 2695-2697 3 p.

    Research output: Contribution to journal › Letter › peer-review

  12. A semi-empirical molecular statistical thermodynamic model for calculating standard molar Gibbs energies of aqueous species above and below the critical point of water

    Lvov, S. N., Hall, D. M., Bandura, A. V. & Gamwo, I. K., 15 Nov 2018, In: Journal of Molecular Liquids. 270, p. 62-73 12 p.

    Research output: Contribution to journal › Article › peer-review

  13. The chemical potential of a dipole in dipolar solvent at infinite dilution: Mean spherical approximation and Monte Carlo simulation

    Bandura, A. V., Holovko, M. F. & Lvov, S. N., 15 Nov 2018, In: Journal of Molecular Liquids. 270, p. 52-61 10 p.

    Research output: Contribution to journal › Article › peer-review

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