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  1. 2021

  2. DFT Modeling of the Zwitterionic Structure of Amino Acids and Their Raman Spectrum

    Krauklis, I. V. & Alekseeva, V., 9 Nov 2021, International Student Conference “Science and Progress” (St Petersburg, November 9-11, 2021): Conference abstracts. St Petersburg: ООО "Сборка", p. 140

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

  3. Ozone Activation on TiO2 Studied by IR Spectroscopy and Quantum Chemistry

    Aminev, T., Krauklis, I., Pestsov, O. & Tsyganenko, A., 2 Aug 2021, In: Applied Sciences (Switzerland). 11, 16, 12 p., 7683.

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

  4. Hybrid Organic–Inorganic Halide Post-Perovskite 3-Cyanopyridinium Lead Tribromide for Optoelectronic Applications

    Selivanov, N. I., Samsonova, A. Y., Kevorkyants, R., Krauklis, I. V., Chizhov, Y. V., Stroganov, B. V., Triantafyllou-Rundell, M. E., Bahnemann, D. W., Stoumpos, C. C., Emeline, A. V. & Kapitonov, Y. V., 3 Jul 2021, In: Advanced Functional Materials. 31, 37, 8 p., 2102338.

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

  5. Effects of the environment upon the properties of Ca cation. A DFT study.

    Шергин, Я. В., Цыганенко, А. А. & Крауклис, И. В., 10 May 2021.

    Research output: Contribution to conference › Abstract › peer-review

  6. 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 › Research

  7. 2020

  8. Raman Spectra of Glycine and Their Modeling in Terms of the Discrete–Continuum Model of Their Water Solvation Shell

    Krauklis, I. V., Tulub, A. V., Golovin, A. V. & Chelibanov, V. P., 1 Oct 2020, In: Optika i Spektroskopiya. 128, 10, p. 1598-1601 4 p.

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

  9. 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

  10. 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

  11. 2019

  12. Modeling of cationic and excited states of γ-substituted boron difluoride acetylacetonates

    Tikhonov, S. A., Samoilov, I. S., Svistunova, I. V., Chekh, A. S., Krauklis, I. V. & Vovna, V. I., 5 Dec 2019, In: Journal of Molecular Structure. 1197, p. 108-116 9 p.

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

  13. Photoelectron spectra and electronic structure of acetylacetonate and bromoacetylacetonate of boron difluoride

    Tikhonov, S. A., Samoilov, I. S., Krauklis, I. V., Borisenko, A. V. & Vovna, V. I., 1 Apr 2019, In: Journal of Physics: Conference Series. 1172, 1, 5 p., 012013.

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

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