1. 2022
  2. Ab initio modeling of helical polyacetylenes: Peierls and Mott-Hubbard metal–insulator transitions

    Porsev, V. V. & Evarestov, R. A., Oct 2022, In: Computational Materials Science. 213, 9 p., 111642.

    Research output: Contribution to journalArticlepeer-review

  3. Transformations of 5-Hydroxy-1-pyrrolines in Strong Brønsted Acids: Experimental and Theoretical Study of Intermediate Cationic Species

    Borisova, M. A., Ryabukhin, D. S., Yu. Ivanov, A., Boyarskaya, I. A., Shabalin, D. A., Zelenkov, L. E., Yu. Schmidt, E., Trofimov, B. A. & Vasilyev, A. V., 12 Aug 2022, In: European Journal of Organic Chemistry. 2022, 30, e202200468.

    Research output: Contribution to journalArticlepeer-review

  4. Spin splitting in monoperiodic systems described by magnetic line groups

    Egorov, S. A., Litvin, D. B., Bandura, A. V. & Evarestov, R. A., 3 Aug 2022, In: Journal of Physics Condensed Matter. 34, 31, 315803.

    Research output: Contribution to journalArticlepeer-review

  5. Synthesis of 3-Aryl-3-(Furan-2-yl)Propanoic Acid Derivatives, and Study of Their Antimicrobial Activity

    Kalyaev, M. V., Ryabukhin, D. S., Borisova, M. A., Ivanov, A. Y., Boyarskaya, I. A., Borovkova, K. E., Nikiforova, L. R., Salmova, J. V., Ul’yanovskii, N. V., Kosyakov, D. S. & Vasilyev, A. V., 19 Jul 2022, In: Molecules. 27, 14, 4612.

    Research output: Contribution to journalArticlepeer-review

  6. Antiferromagnetism-induced spin splitting in monolayers of layered and non-layered crystals: Symmetry-based analysis and Density Functional Theory calculation

    Egorov, S. A. & Evarestov, R. A., 1 May 2022, In: Physica E: Low-Dimensional Systems and Nanostructures. 139, 115118.

    Research output: Contribution to journalArticlepeer-review

  7. Spin Splitting in Systems Described by Magnetic Rod Groups

    Egorov, S. A., Litvin, D. B., Bandura, A. V. & Evarestov, R. A., 15 Mar 2022, In: Journal of Physical Chemistry C. 126, 11, p. 5362-5367 6 p.

    Research output: Contribution to journalArticlepeer-review

  8. Ab initio modeling of helically periodic nanostructures using CRYSTAL17: A general algorithm first applied to nanohelicenes

    Porsev, V. V., Bandura, A. V. & Evarestov, R. A., 15 Feb 2022, In: Computational Materials Science. 203, 11 p., 111063.

    Research output: Contribution to journalArticlepeer-review

  9. pH-Responsive N^C-Cyclometalated Iridium(III) Complexes: Synthesis, Photophysical Properties, Computational Results, and Bioimaging Application

    Solomatina, A. I., Kozina, D. O., Porsev, V. V. & Tunik, S. P., 1 Jan 2022, In: Molecules. 27, 1, 20 p., 232.

    Research output: Contribution to journalArticlepeer-review

  10. 2021
  11. Structure and stability of GaS, GaTe, and Janus-Ga2STe multi-walled nanotubes. Molecular mechanics simulation

    Lukyanov, S. I., Bandura, A. V. & Evarestov, R. A., 1 Sep 2021, In: Physica E: Low-Dimensional Systems and Nanostructures. 133, 10 p., 114779.

    Research output: Contribution to journalArticlepeer-review

  12. Vapor pressures and thermodynamic properties of simple and complex iodides

    Shugurov, S. M., Panin, A. I., Lopatin, S. I. & Panaeva, M. A., 1 Sep 2021, In: Thermochimica Acta. 703, 9 p., 178996.

    Research output: Contribution to journalArticlepeer-review

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