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  1. 2022

  2. Quantum Chemical Simulation of Double-Walled Nanotubes Based on Gallium and Indium Chalcogenides

    Бандура, А. В., Куруч, Д. Д., Лукьянов, С. И. & Эварестов, Р. А., Dec 2022, In: Russian Journal of Inorganic Chemistry. 67, 12, p. 2009-2017 9 p.

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

  3. 2021

  4. Quantum-chemical and molecular mechanics modelling of GaX-based (X = S, Se, and Te) single- and multi-walled nanotubes

    Evarestov, R. A., Bandura, A. V., Lukyanov, S. I. & Kuruch, D. D., 23 Aug 2021, 17-th V.A. Fock Meeting on Theoretical, Quantum and Computational Chemistry, Novgorod the Great, Russia, 23-27 August, 2021: Book of abstracts. p. 2283 1 p.

    Research output: Chapter in Book/Report/Conference proceeding › Conference abstracts › Research

  5. The Nature of Chemical Bonds in the Tetragonal Polymorph of InTe: First-Principles-Based Topological Analysis

    Kovalenko, A. V., Bandura, A. V., Kuruch, D. D., Lukyanov, S. I. & Evarestov, R. A., Aug 2021, In: Physica Status Solidi (B) Basic Research. 258, 8, 7 p., 2100072.

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

  6. Lattice Dynamics and Thermodynamic Properties of Bulk Phases and Monolayers of GaTe and InTe: A Comparison from First-Principles Calculations

    Bandura, A., Kovalenko, A., Kuruch, D. & Evarestov, R., 15 Jan 2021, In: European Journal of Inorganic Chemistry. 2021, 2, p. 126-138 13 p.

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

  7. 2020

  8. Multi-walled MoS2 nanotubes. First principles and molecular mechanics computer simulation

    Bandura, A. V., Lukyanov, S. I., Kuruch, D. D. & Evarestov, R. A., Oct 2020, In: Physica E: Low-Dimensional Systems and Nanostructures. 124, 114183.

    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. First-principles calculations of CdS-based nanolayers and nanotubes

    Bandura, A. V., Kuruch, D. D. & Evarestov, R. A., 1 May 2018, In: Materials Research Express. 5, 5, 055036.

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

  12. 2017

  13. 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

  14. 2015

  15. Ab initio modeling of wall structure and shape in perovskite-based nanotubes

    Bandura, A. V., Kuruch, D. D. & Evarestov, R. A., 2015, In: Computational Materials Science. 96, p. 124-133

    Research output: Contribution to journal › Article

  16. 2013

  17. BaTiO3-Based Nanolayers and Nanotubes: First-Principles Calculations

    Evarestov, R. A., Bandura, A. V. & Kuruch, D. D., 2013, In: Journal of Computational Chemistry. 34, p. 175-186

    Research output: Contribution to journal › Article

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