1. 2020
  2. 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 journalArticlepeer-review

  3. Polyimide-based nanocomposites with binary CeO2/nanocarbon fillers: Conjointly enhanced thermal and mechanical properties

    Nikolaeva, A. L., Gofman, I. V., Yakimansky, A. V., Ivan’kova, E. M., Abalov, I. V., Baranchikov, A. E. & Ivanov, V. K., Sep 2020, In: Polymers. 12, 9, p. 1-17 17 p., 1952.

    Research output: Contribution to journalArticlepeer-review

  4. Theoretical Modeling of Inorganic Nanostructures: Symmetry and ab initio Calculations of Nanolayers, Nanotubes and Nanowires

    Evarestov, R. A., 27 Jun 2020, Second Edition ed. Springer Nature. 857 p. (Nanoscience and Nanotrchnology)

    Research output: Book/Report/AnthologyBookpeer-review

  5. 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 journalArticlepeer-review

  6. Origin of pressure-induced insulator-to-metal transition in the van der Waals compound FePS3 from first-principles calculations

    Evarestov, R. A. & Kuzmin, A., 30 May 2020, In: Journal of Computational Chemistry. 41, 14, p. 1337-1344 8 p.

    Research output: Contribution to journalArticlepeer-review

  7. Noncovalent Sulfoxide−Nitrile Coupling Involving Four-Center Heteroleptic Dipole−Dipole Interactions between the Sulfinyl and Nitrile Groups

    Ivanov, D. M., Baykov, S. V., Novikov, A. S., Romanenko, G., Bokach, N. A., Evarestov, R. A. & Kukushkin, V. Y., 6 May 2020, In: Crystal Growth and Design. 20, 5, p. 3417-3428 12 p.

    Research output: Contribution to journalArticlepeer-review

  8. Green method for preparation of cellulose nanocrystals using deep eutectic solvent

    Smirnov, M. A., Sokolova, M. P., Tolmachev, D. A., Vorobiov, V. K., Kasatkin, I. A., Smirnov, N. N., Klaving, A. V., Bobrova, N. V., Lukasheva, N. V. & Yakimansky, A. V., 1 May 2020, In: Cellulose. 27, 8, p. 4305-4317 13 p.

    Research output: Contribution to journalArticlepeer-review

  9. 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 journalArticlepeer-review

  10. Thermodynamic properties of gaseous BaSnO2 and Ba2O2 studied by Knudsen effusion mass spectrometry

    Emelyanova, K. A., Shugurov, S. M., Panin, A. I., Lopatin, S. I. & Panaeva, M. A., 30 Apr 2020, In: Rapid Communications in Mass Spectrometry. 34, 8, 8 p., e8716.

    Research output: Contribution to journalArticlepeer-review

  11. First-Principles Calculations of Phonons and Thermodynamic Properties of Zr(Hf)S2-Based Nanotubes

    Domnin, A. V., Bandura, A. V. & Evarestov, R. A., 30 Mar 2020, In: Journal of Computational Chemistry. 41, 8, p. 759-768

    Research output: Contribution to journalArticlepeer-review

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