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  1. 2008

  2. Electronic Structure of crystalline uranium nitrides UN,U2N3 and UN2: LCAO calculations with the basis set optimization

    Evarestov, R. A., Panin, A. I., Bandura, A. V. & Losev, M. V., 2008, In: Journal of Physics: Conference Series. 117, 1, p. 012015

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

  3. Региональная олимпиада 2008 года по химии

    Бандура, А. В., Власов, П. С., Карцова, А. А., Киприанов, А. А., Севастьянова, Т. Н., Скрипкин, М. Ю., Соколов, В. В., Тимошкин, А. Ю., Туник, С. П. & Шумилова, Г. И., 2008, Правительство Санкт-Петербурга.

    Research output: Book/Report/Anthology › Teaching materials

  4. 2007

  5. The water adsorption on the surfaces of SrMO3 (M= Ti, Zr, and Hf) crystalline oxides: Quantum and classical modelling

    Evarestov, R. A., Bandura, A. V. & Blokhin, E. N., 1 Dec 2007, In: Journal of Physics: Conference Series. 93, 1, 012001.

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

  6. Adsorption of water on (0 0 1) surface of SrTiO3 and SrZrO3 cubic perovskites: Hybrid HF-DFT LCAO calculations

    Evarestov, R. A., Bandura, A. V. & Alexandrov, V. E., 15 Apr 2007, In: Surface Science. 601, 8, p. 1844-1856 13 p.

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

  7. КОМПЬЮТЕРНОЕ МОДЕЛИРОВАНИЕ АДСОРБЦИИ МОЛЕКУЛ ВОДЫ НА ПОВЕРХНОСТИ КРИСТАЛЛИЧЕСКИХ ОКСИДОВ ТИТАНА, ОЛОВА, ЦИРКОНИЯ И ГАФНИЯ

    Эварестов, РОБЕРТ. АЛЕКСАНДРОВИЧ. & Бандура, АНДРЕЙ. ВИЛОВИЧ., 2007, In: РОССИЙСКИЙ ХИМИЧЕСКИЙ ЖУРНАЛ. 5, p. 149-158

    Research output: Contribution to journal › Article

  8. 2006

  9. Hybrid HF-DFT comparative study of SrZrO3 and SrTiO 3(001) surface properties

    Evarestov, R. A., Bandura, A. V. & Alexandrov, V. E., 1 Oct 2006, In: Physica Status Solidi (B) Basic Research. 243, 12, p. 2756-2763 8 p.

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

  10. Ab initio calculations and analysis of chemical bonding in SrTiO 3 and SrZrO3 cubic crystals

    Evarestov, R. A., Tupitsyn, I. I., Bandura, A. V. & Alexandrov, V. E., 15 Aug 2006, In: International Journal of Quantum Chemistry. 106, 10, p. 2191-2200 10 p.

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

  11. Structure of hydrated Zn2+ at the rutile TiO2 (110)-aqueous solution interface: Comparison of X-ray standing wave, X-ray absorption spectroscopy, and density functional theory results

    Zhang, Z., Fenter, P., Kelly, S. D., Catalano, J. G., Bandura, A. V., Kubicki, J. D., Sofo, J. O., Wesolowski, D. J., Machesky, M. L., Sturchio, N. C. & Bedzyk, M. J., 15 Aug 2006, In: Geochimica et Cosmochimica Acta. 70, 16, p. 4039-4056 18 p.

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

  12. Plain DFT and hybrid HF-DFT LCAO calculations of SnO2 (110) and (100) bare and hydroxylated surfaces

    Evarestov, R. A., Bandura, A. V. & Proskurov, E. V., 1 Jul 2006, In: Physica Status Solidi (B) Basic Research. 243, 8, p. 1823-1834 12 p.

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

  13. Derivation of force field parameters for SnO2-H2O surface systems from plane-wave density functional theory calculations

    Bandura, A. V., Sofo, J. O. & Kubicki, J. D., 27 Apr 2006, In: Journal of Physical Chemistry B. 110, 16, p. 8386-8397 12 p.

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

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