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  1. 2020

  2. 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 journal › Article › peer-review

  3. 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 journal › Article › peer-review

  4. 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 journal › Article › peer-review

  5. 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 journal › Article › peer-review

  6. 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 journal › Article › peer-review

  7. 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 journal › Article › peer-review

  8. 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 journal › Article › peer-review

  9. Thermochemical Study of Gaseous Salts of Oxygen-Containing Acids: XXIII. Lead Antimonates

    Emelyanova, K. A., Shugurov, S. M., Panin, A. I. & Lopatin, S. I., 1 Mar 2020, In: Russian Journal of General Chemistry. 90, 3, p. 323-328 6 p.

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

  10. Influence of Macromolecular Brushes with Polyimide Backbones and Poly(methyl methacrylate) Side Chains on Structure, Physical, and Transport Properties of Polyphthalamide

    Tian, N. S., Meleshko, T. K., Polotskaya, G. A., Gofman, I. V., Kashina, A. V., Kukarkina, N. V., Vlasova, E. N., Zoolshoev, Z. F. & Yakimansky, A. V., Mar 2020, In: Polymer Engineering and Science. 60, 3, p. 481-490

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

  11. First-principles comparative study of perfect and defective CsPbX3 (X = Br, I) crystals

    Evarestov, R. A., Kotomin, E. A., Senocrate, A., Kremer, R. K. & Maier, J., 21 Feb 2020, In: Physical Chemistry Chemical Physics. 22, 7, p. 3914-3920 7 p.

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

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