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  1. 2017

  2. Hybrid organic-inorganic lead and tin halide perovskites with saturated heterocyclic cations (CH2)nNH2+ and (CH2)nOH+, (n = 2–6): Ab initio study

    Kevorkyants, R., Sboev, M. N. & Chizhov, Y. V., 1 Oct 2017, In: Computational Materials Science. 138, p. 99-104 6 p.

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

  3. Ab initio R1 mechanism of photostimulated oxygen isotope exchange reaction on a defect TiO 2 surface: The case of terminal oxygen atom exchange

    Kevorkyants, R., Sboev, M. N. & Chizhov, Y. V., 1 May 2017, In: Applied Surface Science. 403, p. 342-346 5 p.

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

  4. Сравнительный анализ центров связывания металла в гомологичных доменах фактора FVIII свертывания крови и церулоплазмина человека

    Крауклис, И. В., Чижов, Ю. В., Маслов, В. Г., Стефанов, В. Е. & Мошков, К. А., 2017, In: ЖУРНАЛ ЭВОЛЮЦИОННОЙ БИОХИМИИ И ФИЗИОЛОГИИ. 53, 5, p. 380-383

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

  5. 2016

  6. The origin of 1560 cm(-1) band in experimental IR spectra of water adsorbed on TiO2 surface: Ab initio assessment

    Kevorkyants, R., Rudakova, A. V., Chizhov, Y. V. & Bulanin, K. M., 1 Oct 2016, In: Chemical Physics Letters. 662, p. 97-101 5 p.

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

  7. Application of DFT for the Modeling of the Valence Region Photoelectron Spectra of Boron and d-Element Complexes and Macromolecules

    Osmushko, I. S., Vovna, V. I., Tikhonov, S. A., Chizhov, Y. V. & Krauklis, I. V., 2016, In: International Journal of Quantum Chemistry. 116, 4, p. 325–332

    Research output: Contribution to journal › Article

  8. Quantum chemical modeling of mutation-induced amino acid substitutions in the copper-binding site of azurin

    Chizhov, Y. V., Krauklis, I. V., Maslov, V. G., Stefanov, V. E. & Moshkov, K. A., 2016, In: Journal of Evolutionary Biochemistry and Physiology. 52, 6, p. 507-508

    Research output: Contribution to journal › Article

  9. Spectroscopy and quantum-chemical calculations of nitro-bis-bipyridyl complexes of ruthenium(II) with 4-substituted pyridine ligands

    Reshetova, K. I., Krauklis, I. V., Litke, S. V., Ershov, A. Y. & Chizhov, Y. V., 2016, In: Optics and Spectroscopy (English translation of Optika i Spektroskopiya). 120, 4, p. 566–574

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

  10. The structure and aromaticity of 1,4 and 1,5 dihydro diazocine, dioxocine, hydro oxazocine: Ab initio CCSD(T) singlet potential energy surface study

    Kevorkyants, R. & Chizhov, Y. V., 2016, In: Tetrahedron Letters. 57, 3, p. 340–344

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

  11. Квантово-химическое моделирование мутационных замен аминокислот в центре связывания иона меди в азурине

    Чижов, Ю. В., Крауклис, И. В., Маслов, В. Г., Стефанов, В. Е. & Мошков, К. А., 2016, In: ЖУРНАЛ ЭВОЛЮЦИОННОЙ БИОХИМИИ И ФИЗИОЛОГИИ. 52, 6, p. 451-452

    Research output: Contribution to journal › Short survey

  12. Моделирование квантово-химическими методами мутаций, локализованных в центре связывания иона меди в азурине

    Чижов, Ю. В., Крауклис, И. В., Мошков, К. А., Маслов, В. Г. & Стефанов, В. Е., 2016, Научные труды V Съезда физиологов СНГ, V Съезда биохимиков России, Конференции ADFLIM: Спецвыпуск. Том 2. p. 80

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

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