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  1. 2022

  2. Spin Splitting in Systems Described by Magnetic Rod Groups

    Egorov, S. A., Litvin, D. B., Bandura, A. V. & Evarestov, R. A., 15 Mar 2022, In: Journal of Physical Chemistry C. 126, 11, p. 5362-5367 6 p.

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

  3. Ab initio modeling of helically periodic nanostructures using CRYSTAL17: A general algorithm first applied to nanohelicenes

    Porsev, V. V., Bandura, A. V. & Evarestov, R. A., 15 Feb 2022, In: Computational Materials Science. 203, 11 p., 111063.

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

  4. 2021

  5. Structure and stability of GaS, GaTe, and Janus-Ga2STe multi-walled nanotubes. Molecular mechanics simulation

    Lukyanov, S. I., Bandura, A. V. & Evarestov, R. A., 1 Sep 2021, In: Physica E: Low-Dimensional Systems and Nanostructures. 133, 10 p., 114779.

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

  6. 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

  7. 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

  8. 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

  9. 2020

  10. First-principles calculations on stability, electronic and phonon properties of monolayers and nanotubes based on gallium monochalcogenides

    Karpov, V. V., Bandura, A. V. & Evarestov, R. A., 23 Nov 2020, Functional Materials and Nanotechnologies: Abstract book. p. 173

    Research output: Chapter in Book/Report/Conference proceeding › Other chapter contribution › Research

  11. 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

  12. Nonempirical Calculations of the Structure and Stability of Nanotubes Based on Gallium Monochalcogenides

    Karpov, V. V., Bandura, A. V. & Evarestov, R. A., 1 Jun 2020, In: Physics of the Solid State. 62, 6, p. 1017-1023 7 p.

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

  13. 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

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