1. 2025
  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 journalArticlepeer-review

  3. 2024
  4. Derivation of a Force Field for Computer Simulations of Multi-Walled Nanotubes. II. Tungsten Diselenide

    Бандура, А. В., Лукьянов, С. И., Домнин, А. В., Куруч, Д. Д. & Эварестов, Р. А., 19 Dec 2024, (E-pub ahead of print) In: Russian Journal of Inorganic Chemistry. 11 p.

    Research output: Contribution to journalArticlepeer-review

  5. Luminescent Re(I) Sensors for Copper Ion Detection in the Lifetime based mode

    Kisel, K. S., Samandarsangari, M., Sokolov, V. V., Porsev, V. V., Silonov, S. A., Shakirova, J. R., Evarestov, R. A. & Tunik, S. P., 19 Dec 2024, (E-pub ahead of print) In: Optical Materials.

    Research output: Contribution to journalArticlepeer-review

  6. EZFF2 – software for global optimization of force-field potentials: development of force-field potentials for modeling multi-walled WSe2 nanotubes

    Домнин, А. В., Куруч, Д. Д., Лукьянов, С. И., Эварестов, Р. А. & Бандура, А. В., 27 Aug 2024, Book of Abstracts of the 20-th V.A. Fock Meeting on Theoretical, Quantum and Computational Chemistry. Novgorod the Great, Russia, August, 26-30, 2024.. Чугреев, А. (ed.). Великий Новгород: МЦНМО, 1 p. 2450

    Research output: Chapter in Book/Report/Conference proceedingConference abstractsResearch

  7. Polarizability of quasi-1D nanostructures (C60)n in terms of molecular and periodic paradigms

    Сабиров, Д., Порсев, В. В., Тухбатуллина, А. & Эварестов, Р. А., 14 Aug 2024, (E-pub ahead of print) In: Fullerenes Nanotubes and Carbon Nanostructures. 7 p.

    Research output: Contribution to journalArticlepeer-review

  8. Line group approach for quantum chemical study of intrinsic helical twist of ultrathin tellurium nanorods

    Порсев, В. В., Бандура, А. В. & Эварестов, Р. А., 3 Jun 2024, In: CrystEngComm. 26, 25, p. 3410-3423 14 p.

    Research output: Contribution to journalArticlepeer-review

  9. 2023
  10. 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 journalArticlepeer-review

  11. 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 journalArticlepeer-review

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