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  1. 2017

  2. First-principles modeling of hafnia-based nanotubes

    Evarestov, R. A., Bandura, A. V., Porsev, V. V. & Kovalenko, A. V., 15 Sep 2017, In: Journal of Computational Chemistry. 38, 24, p. 2088-2099 12 p.

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

  3. Atom–atom force field for simulation of zirconia bulk, nanosheets and nanotubes

    Bandura, A. V., Lukyanov, S. I. & Evarestov, R. A., 13 Aug 2017, In: Molecular Simulation. 43, 12, p. 886-899 14 p.

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

  4. Simulation of Young's moduli for hexagonal ZnO [0 0 0 1]-oriented nanowires: First principles and molecular mechanical calculations

    Bandura, A. V., Evarestov, R. A., Lukyanov, S. I., Piskunov, S. & Zhukovskii, Y. F., 1 Aug 2017, In: Materials Research Express. 4, 8, 085014.

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

  5. First-principles Calculations of InS-based Nanotubes

    Bandura, A. V., Kuruch, D. D. & Evarestov, R. A., 1 Jun 2017, In: Israel Journal of Chemistry. 57, 6, p. 490-500 11 p.

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

  6. Quantum-chemical study of WS2-based nanostructures

    Коваленко, А. В., Бандура, А. В. & Эварестов, Р. А., 2017, p. 103. 1 p.

    Research output: Contribution to conference › Abstract

  7. 2016

  8. Symmetry and First-principles Calculations of Inorganic Nanostructures

    Эварестов, Р. А., Бандура, А. В. & Порсев, В. В., 17 Mar 2016.

    Research output: Contribution to conference › Abstract

  9. Application of zone-folding approach to the first-principles estimation of thermodynamic properties of carbon and ZrS2-based nanotubes

    Bandura, A. V., Porsev, V. V. & Evarestov, R. A., 2016, In: Journal of Computational Chemistry. 37, 7, p. 641-652

    Research output: Contribution to journal › Article

  10. Nanolayered solid electrolyte (GeSe2)30(Sb2Se3)30(AgI)40/AgI: A new hypothesis for the conductivity mechanism in layered AgI.

    Tveryanovich, Y. S., Bandura, A. V., Fokina, S. V., Borisov, E. N. & Evarestov, R. A., 2016, In: Solid State Ionics. 294, p. 82-89

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

  11. Simulation of structure and stability of carbon nanoribbons

    Bandura, A. V., Shur, V. A. & Evarestov, R. A., 2016, In: Russian Journal of General Chemistry. 86, 8, p. 1777-1786

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

  12. Temperature dependence of strain energy and thermodynamic properties of V2O5-based single-walled nanotubes: Zone-folding approach

    Porsev, V. V., Bandura, A. V. & Evarestov, R. A., 2016, In: Journal of Computational Chemistry. 37, 16, p. 1442-1450 9 p.

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

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ID: 201808