1. 2023
  2. 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

  3. 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

  4. DFT Study of WS2-Based Nanotubes Electronic Properties under Torsion Deformations

    Домнин, А. В., Михайлов, И. Е. & Эварестов, Р. А., 4 Oct 2023, In: Nanomaterials. 13, 19, 2699.

    Research output: Contribution to journalArticlepeer-review

  5. IMPLEMENTATION OF CATBOOST CLASSIFIER PROTOCOL TO PREDICT THE HETEROGENEOUS HYDROLYSIS REACTION PROPERTIES OF ORGANOPHOSPHORUS SUBSTRATES USING QTAIM DESCRIPTORS

    Домнин, А. В., Петрова, В. В., Куляев, П. О., Соловьев, Я. & Порозов, Ю. Б., 20 Sep 2023, XXIX Symposium on Bioinformatics and Computer-Aided Drug Discovery. Поройков, В. & Ефремов, Р. (eds.). Москва: Научно-исследовательский институт биомедицинской химии им. В.Н. Ореховича, p. 149 1 p.

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

  6. Effect of the armchair and zigzag edge terminations on the properties of nanohelicenes: First-principles study

    Домнин, А. В., Порсев, В. В. & Эварестов, Р. А., 1 Sep 2023, In: Computational Condensed Matter. 36, 11 p., e00826.

    Research output: Contribution to journalArticlepeer-review

  7. Current State of Computational Modeling of Nanohelicenes

    Порсев, В. В. & Эварестов, Р. А., 9 Aug 2023, In: Nanomaterials. 13, 16, 42 p., 2295.

    Research output: Contribution to journalReview articlepeer-review

  8. Pt(II) Complexes with a Novel Pincer N^C^N Ligand: Synthesis, Characterization, and Photophysics

    Luneva, E. E., Kozina, D. O., Mozzhukhina, A. V., Porsev, V. V., Solomatina, A. I. & Tunik, S. P., 3 May 2023, In: Inorganics. 11, 5, 198.

    Research output: Contribution to journalArticlepeer-review

  9. Investigation of the N^C Ligand Effects on Emission Characteristics in a Series of Bis-Metalated [Ir(N^C) 2(N^N)] + Complexes.

    Hendi, Z., Kozina, D. O., Porsev, V. V., Kisel, K. S., Shakirova, J. R. & Tunik, S. P., 17 Mar 2023, In: Molecules. 28, 6, 2740.

    Research output: Contribution to journalArticlepeer-review

  10. Cyclometalated platinum(II) complexes with acyclic diaminocarbene ligands for OLED application

    Каткова, С. А., Козина, Д. О., Кисель, К. С., Санжиева, М., Тарванен, Д., Макаров, С., Порсев, В. В., Туник, С. П. & Кинжалов, М. А., 3 Mar 2023, (E-pub ahead of print) In: Dalton Transactions.

    Research output: Contribution to journalArticlepeer-review

  11. 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 journalArticlepeer-review

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