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  1. 2023

  2. Development of force field potentials for modeling multi-walled WS2 nanotubes

    Домнин, А. В., Куруч, Д. Д., Лукьянов, С. И., Эварестов, Р. А. & Бандура, А. В., 2023, BOOK OF ABSTRACTS of the 19-th V.A. Fock Meeting on Theoretical, Quantum and Computational Chemistry. Tchougréeff, A. (ed.). Москва: МЦНМО, 2359

    Research output: Chapter in Book/Report/Conference proceeding › Conference abstracts › Research

  3. First principles study of nanohelicenes using line symmetry groups

    Порсев, В. В., Домнин, А. В., Куруч, Д. Д. & Эварестов, Р. А., 2023, BOOK OF ABSTRACTS of the 19-th V.A. Fock Meeting on Theoretical, Quantum and Computational Chemistry. Tchougréeff, A. (ed.). Москва: МЦНМО, 2359

    Research output: Chapter in Book/Report/Conference proceeding › Conference abstracts › Research › peer-review

  4. 2022

  5. DFT modeling of electronic and mechanical properties of polytwistane using line symmetry group theory

    Domnin, A. V., Porsev, V. V. & Evarestov, R. A., 1 Nov 2022, In: Computational Materials Science. 214, 111704.

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

  6. 2020

  7. Na/K-ATPase Glutathionylation: in silico Modeling of Reaction Mechanisms

    Solovev, Y. V., Ostroverkhova, D. S., Tamazian, G., Domnin, A. V., Anashkina, A. A., Petrushanko, I. Y., Stepanov, E. O. & Porozov, Y. B., 2020, Bioinformatics Research and Applications - 16th International Symposium, ISBRA 2020, Proceedings: 16th International Symposium, ISBRA 2020, Moscow, Russia, December 1–4, 2020, Proceedings. Cai, Z., Mandoiu, I., Narasimhan, G., Skums, P. & Guo, X. (eds.). Cham: Springer Nature, p. 372-380 9 p. (Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics); vol. 12304 LNBI).

    Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Research › peer-review

  8. 2018

  9. Comparison of vibrational and thermodynamic properties of MoS 2 and WS 2 nanotubes: First principles study

    Evarestov, R. A., Kovalenko, A. V., Bandura, A. V., Domnin, A. V. & Lukyanov, S. I., 1 Nov 2018, In: Materials Research Express. 5, 11, 115028.

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

  10. Comparative First-principles Calculations of ZrS2 and HfS2-based Nanotubes

    Domnin, A., Evarestov, R. & Bandura, A., 2018, 12th International Conference of Functional Materials and Nanotechnologies. FM&NT-2018: Book of abstracts. Riga: Издательство Латвийского университета, p. 111 PO-1

    Research output: Chapter in Book/Report/Conference proceeding › Conference abstracts › Research

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