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  1. 2024

  2. Force-Field Modeling of Single-Chirality-Angle Multi-walled WS2 Nanotubes

    Лукьянов, С. И., Бандура, А. В., Куруч, Д. Д. & Эварестов, Р. А., 1 Jan 2025, In: Physica E: Low-Dimensional Systems and Nanostructures. 165, 8 p., 116066.

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

  3. 2023

  4. Density functional and force field modeling of multi-walled WS2 nanotubes

    Бандура, А. В., Лукьянов, С. И., Домнин, А. В., Куруч, Д. Д. & Эварестов, Р. А., 1 Nov 2023, In: Computational and Theoretical Chemistry. 1229, 114333.

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

  5. Derivation of a Force Field for Computer Simulations of Multi-Walled Nanotubes Using Genetic Algorithm. I. Tungsten Disulfide

    Бандура, А. В., Лукьянов, С. И., Домнин, А. В., Куруч, Д. Д. & Эварестов, Р. А., 1 Nov 2023, In: Russian Journal of Inorganic Chemistry. 68, 11, p. 1582–1591 10 p.

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

  6. Single-wall pristine and Janus nanotubes based on post-transition metal chalcogenides. First-principles study

    Bandura, A. V., Kuruch, D. D., Porsev, V. V. & Evarestov, R. A., 1 Mar 2023, In: Physica E: Low-Dimensional Systems and Nanostructures. 147, 115611.

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

  7. Development of force field potentials for modeling multi-walled WS2 nanotubes

    Домнин, А. В., Куруч, Д. Д., Лукьянов, С. И., Эварестов, Р. А. & Бандура, А. В., 2023, BOOK OF ABSTRACTS of the 19-th V.A. Fock Meeting on Theoretical, Quantum and Computational Chemistry. Tchougréeff, A. (ed.). Москва: МЦНМО, 2359

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

  8. First principles study of nanohelicenes using line symmetry groups

    Порсев, В. В., Домнин, А. В., Куруч, Д. Д. & Эварестов, Р. А., 2023, BOOK OF ABSTRACTS of the 19-th V.A. Fock Meeting on Theoretical, Quantum and Computational Chemistry. Tchougréeff, A. (ed.). Москва: МЦНМО, 2359

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

  9. 2022

  10. 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

  11. 2021

  12. 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

  13. 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

  14. 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

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