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  1. 2014

  2. TiS2 and ZrS2 Single and Double-Wall Nanotubes: First-Principles Study

    Bandura, A. V. & Evarestov, R. A., 2014, In: Journal of Computational Chemistry. 35, 5, p. 395-405

    Research output: Contribution to journal › Article

  3. 2013

  4. BaTiO3-Based Nanolayers and Nanotubes: First-Principles Calculations

    Evarestov, R. A., Bandura, A. V. & Kuruch, D. D., 2013, In: Journal of Computational Chemistry. 34, p. 175-186

    Research output: Contribution to journal › Article

  5. Nanotubes folded from cubic and orthorhombic SrZrO3: First-principles study

    Bandura, A. V., Evarestov, R. A. & Kuruch, D. D., 2013, Nanotubes folded from cubic and orthorhombic SrZrO3: First-principles study. p. 012009

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

  6. Quantum mechanics based classical molecular dynamics study of water adsorption on (001) SrMO3 surfaces (M=Ti, Zr).

    Lukyanov, S. I., Bandura, A. V. & Evarestov, R. A., 2013, In: Surface Science. 611, p. 10-24

    Research output: Contribution to journal › Article

  7. SYMMETRY AND CALCULATIONS OF NANOTUBES AND NANOWIRES BASED ON RUTILE AND PEROVSKITE STRUCTURES

    Evarestov, R. A. & Bandura, A. V., 2013, PHYSICS, CHEMISTRY AND APPLICATIONS OF NANOSTRUCTURES: REVIEWS AND SHORT NOTES. Minsk, Belarus, p. 14-23 10 p.

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

  8. 2012

  9. Ab initio structure modeling of ZrO 2 nanosheets and single-wall nanotubes

    Bandura, A. V. & Evarestov, R. A., 1 Dec 2012, In: Computational Materials Science. 65, p. 395-405 11 p.

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

  10. First-principles calculations on thermodynamic properties of BaTiO 3 rhombohedral phase

    Bandura, A. V. & Evarestov, R. A., 5 Jul 2012, In: Journal of Computational Chemistry. 33, 18, p. 1554-1563 10 p.

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

  11. Comment on "structure and dynamics of liquid water on rutile TiO 2 (110)"

    Wesolowski, D. J., Sofo, J. O., Bandura, A. V., Zhang, Z., Mamontov, E., Předota, M., Kumar, N., Kubicki, J. D., Kent, P. R. C., Vlcek, L., MacHesky, M. L., Fenter, P. A., Cummings, P. T., Anovitz, L. M., Skelton, A. A. & Rosenqvist, J., 5 Apr 2012, In: Physical Review B - Condensed Matter and Materials Physics. 85, 16, 167401.

    Research output: Contribution to journal › Review article › peer-review

  12. Ab initio structure modeling of ZrO2 nanosheets and single-wall nanotubes

    Bandura, A. V. & Evarestov, R. A., 2012, In: Computational Materials Science. 65, p. 395–405

    Research output: Contribution to journal › Article

  13. A New Hypothesis for the Dissolution Mechanism of Silicates

    Kubicki, J. D., Sofo, J. O., Skelton, A. A. & Bandura, A. V., 2012, In: Journal of Physical Chemistry C. 116, 33, p. 17479–17491

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

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