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  1. 2018

  2. Infrared and Raman active vibrational modes in MoS2-based nanotubes: Symmetry analysis and first-principles calculations

    Evarestov, R. A. & Bandura, A. V., 5 Oct 2018, In: Journal of Computational Chemistry. 39, 26, p. 2163-2172 10 p.

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

  3. Temperature dependence of thermodynamic properties of MoS2 monolayer and single-wall nanotubes: Application of the developed three-body force field

    Bandura, A. V., Lukyanov, S. I. & Evarestov, R. A., 1 Oct 2018, In: Journal of Molecular Graphics and Modelling. 85, p. 212-222 11 p.

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

  4. First-principles calculations of CdS-based nanolayers and nanotubes

    Bandura, A. V., Kuruch, D. D. & Evarestov, R. A., 1 May 2018, In: Materials Research Express. 5, 5, 055036.

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

  5. Supercell-zone folding transformation for bulk crystals and nanotubes

    Evarestov, R. A., Bandura, A. V. & Tupitsyn, I. I., 11 Jan 2018, In: Theoretical Chemistry Accounts. 137, 2, 19 p., 14.

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

  6. 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

  7. Comparative Study of Phonons and Thermodynamic Properties of MoS2 and WS2 Nanotubes

    Kovalenko, A. V., Bandura, A. V. & Evarestov, R. A., 2018, International Conference of Functional Materials and Nanotechnologies. FM&NT-2018: Book of abstracts. Riga: Издательство Латвийского университета, p. 112 1 p. PO-2

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

  8. Magnetic Properties of Solid Solutions LaGa(1-x)FexO3 and LaAl(1-x)FexO3: First-Principles Study

    Sapova, M., Bandura, A. & Evarestov, R., 2018, 12th International Conference of Functional Materials and Nanotechnologies. FM&NT-2018: Book of abstracts. Riga: Издательство Латвийского университета, p. 126 1 p. PO-16

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

  9. New Three-body Force-field for Calculation of the Thermodynamic Properties of MoS2 Nanolayers and Nanotubes

    Bandura, A., Lukyanov, S. & Evarestov, R., 2018, 12th International Conference of Functional Materials and Nanotechnologies. FM&NT-2018: Book of abstracts. Riga: Издательство Латвийского университета, p. 106 1 p. OR-33

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

  10. 2017

  11. Water adsorption on α-V2O5 surface and absorption in V2O5∙nH2O xerogel: DFT study of electronic structure

    Porsev, V. V., Bandura, A. V. & Evarestov, R. A., 1 Dec 2017, In: Surface Science. 666, p. 76-83 8 p.

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

  12. Phonon spectra, electronic, and thermodynamic properties of WS2 nanotubes

    Evarestov, R. A., Bandura, A. V., Porsev, V. V. & Kovalenko, A. V., 15 Nov 2017, In: Journal of Computational Chemistry. 38, 30, p. 2581-2593 13 p.

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

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ID: 201808