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  1. 2021

  2. DFT modeling of the zwitterionic structure of alanine and its Raman spectrum

    Krauklis, I. V., Tulub, A. V., Golovin, A. V. & Chizhov, Y. V., 7 May 2021, 5th International Symposium on Molecular Photonics: Book of abstarcts. SPb, p. 40

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

  3. 2020

  4. Сравнительный анализ механизма катализа многоядерных синих оксидаз: квантово-химическое исследование пероксидного интермедиата церулоплазмина.

    Крауклис, И. В., Чижов, Ю. В., Стефанов, В. Е. & Мошков, К. А., 18 Mar 2020, In: ЖУРНАЛ ЭВОЛЮЦИОННОЙ БИОХИМИИ И ФИЗИОЛОГИИ. 56, 2, p. 158-161 4 p.

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

  5. Ab Initio Insight into Mechanisms of Ozone Interaction with a Surface of Dehydrated Nanocrystalline TiO2

    Kevorkyants, R., Chizhov, Y. V. & Bulanin, K. M., 3 Mar 2020, In: Langmuir. 36, 8, p. 1930-1936 7 p.

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

  6. Comparative Analysis of the Mechanism of Multinucleated Blue Oxidase Catalysis: Quantum Chemical Investigation of the Ceruloplasmin Peroxide Intermediate

    Чижов, Ю. В., Крауклис, И. В., Стефанов, В. Е. & Мошков, К. А., 2020, In: Journal of Evolutionary Biochemistry and Physiology. 56, 2, p. 165-169 5 p.

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

  7. 2019

  8. The effect of elliptical polarization in MSXα calculations of the molecular-frame photoelectron angular distributions of CO C(1s) ionization

    Golovin, A. V., Anielski, D., Gordeev, S. V., Lagodinski, V. M., Chizhov, Y. V., Küpper, J. & Rolles, D., 1 Jul 2019, In: European Physical Journal D. 73, 7, 7 p., 131.

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

  9. 2018

  10. Electronic-state-driven adsorption of O2 on a nanocrystalline TiO2 under ‘dark’ and UV-irradiation conditions: Ab initio study

    Kevorkyants, R., Sboev, M. N. & Chizhov, Y. V., 16 Apr 2018, In: Chemical Physics Letters. 698, p. 97-101 5 p.

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

  11. Electronically exited states in triphenylphosphine complexes of Ruthenium (II): TD DFT study

    Krauklis, I. V., Reshetova, K. I., Podkopaeva, O. Y. & Chizhov, Y. V., 2018, In: Journal of Photochemistry and Photobiology A: Chemistry. 354, p. 112-118

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

  12. 2017

  13. Comparative analysis of metal-binding centers in homologous domains of human coagulation factor VIII and ceruloplasmin

    Krauklis, I. V., Chizhov, Y. V., Maslov, V. G., Stefanov, V. E. & Moshkov, K. A., 6 Dec 2017, In: Journal of Evolutionary Biochemistry and Physiology. 53, 5, p. 427-430 4 p.

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

  14. 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

  15. 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

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