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  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 journal › Article › peer-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 journal › Article › peer-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 journal › Article › peer-review

  6. Thermodynamics of gaseous strontium and calcium cerates studied by Knudsen effusion mass spectrometry and estimation of relative electron ionization cross-section for CeO2(g)

    Шугуров, С. М., Лопатин, С. И., Жинкина, О. А., Панин, А. И. & Панина, Н. С., 15 Nov 2024, In: Rapid Communications in Mass Spectrometry. 38, 21, 8 p., e9894.

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

  7. 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 proceeding › Conference abstracts › Research

  8. 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 journal › Article › peer-review

  9. Различные подходы к ab initio моделированию гексагональных одностенных нанотрубок большого диаметра

    Домнин, А. В., Михайлов, И. Е. & Эварестов, Р. А., 5 Aug 2024, In: ФИЗИКА ТВЕРДОГО ТЕЛА. 66, 8, p. 1438-1444

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

  10. 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 journal › Article › peer-review

  11. Implementation of machine learning protocols to predict the hydrolysis reaction properties of organophosphorus substrates using descriptors of electron density topology

    Петрова, В. В., Домнин, А. В., Порозов, Ю. Б., Куляев, П. О. & Соловьев, Я., 30 Jan 2024, In: Journal of Computational Chemistry. 45, 3, p. 170-182 13 p., 3.

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

  12. 2023

  13. Unusual Effects of the Metal Center Coordination Mode on the Photophysical Behavior of the Rhenium(I) and Rhenium(I)–Iridium(III) Complexes

    Кисель, К. С., Туник, С. П., Шакирова, Ю. Р., Павловский, В. В., Эварестов, Р. А. & Гуржий, В. В., 2 Nov 2023, (E-pub ahead of print) In: Inorganic Chemistry. 62, 45, p. 18625-18640 16 p.

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

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ID: 25724