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  1. 2021

  2. 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

  3. 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

  4. 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

  5. 2020

  6. 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

  7. 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

  8. 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

  9. 2019

  10. 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

  11. 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

  12. 2018

  13. 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

  14. 2017

  15. 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

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