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 proceedingConference abstractsResearch

  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 journalArticlepeer-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 journalArticlepeer-review

  5. 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 proceedingConference abstractsResearch

  6. 2020
  7. 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 journalArticlepeer-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 journalArticlepeer-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 journalArticlepeer-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 journalConference articlepeer-review

ID: 217685