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  1. 2021

  2. AB INITIO SIMULATION OF THE GLUTATHIONE PEROXIDASE-1 CATALYTIC CYCLE USING SELENOCYSTEINE AS A MODEL SYSTEM

    Karpov, V. & Tupikina, E., 6 Sep 2021, p. 129. 777 p.

    Research output: Contribution to conference › Abstract

  3. On the influence of water molecules on the outer electronic shells of R–SeH, R–Se(−) and R–SeOH fragments in the selenocysteine amino acid residue

    Тупикина, Е. Ю., Карпов, В. В. & Толстой, П. М., 7 Jul 2021, In: Physical Chemistry Chemical Physics. 23, 25, p. 13965-13970 6 p.

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

  4. Исследование влияния гидратации в квантово-химическом моделировании активного центра глутатионпероксидазы

    Карпов, В. В. & Тупикина, Е. Ю., 12 Apr 2021, p. 868. 1220 p.

    Research output: Contribution to conference › Abstract

  5. Estimations of FH center dot center dot center dot X hydrogen bond energies from IR intensities: Iogansen's rule revisited

    Тупикина, Е. Ю., Толстой, П. М., Титова, А. А., Костин, М. А. & Денисов, Г. С., 30 Mar 2021, In: Journal of Computational Chemistry. 42, 8, p. 572-580 9 p.

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

  6. Sensitivity of 77Se chemical shift to the selenium atom surroundings in water media

    Karpov, V., Tolstoy, P. & Tupikina, E., 29 Mar 2021, p. 107-109. 283 p.

    Research output: Contribution to conference › Abstract

  7. Molecular Complexes of Glycine with Cations H+, Ca2+, and Phosphine Oxide H3PO

    Tupikina, E. Y. & Yastrebov, S. G., Feb 2021, In: Technical Physics Letters. 47, 2, p. 147-149 3 p.

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

  8. APPLICABILITY OF IR SPECTRAL PARAMETERSFOR ESTIMATION OF THE STRENGTH OH∙∙∙N HYDROGEN BONDS

    Titova, A. A. & Tupikina E.Yu., E. Y., 2021, XII International Conference on Chemistry for Young Scientists "Mendeleev 2021" : Book of abstracts . СПб: Издательство Санкт-Петербургского университета, p. 174

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

  9. Diagnostic of OH∙∙∙N Hydrogen Bond by IR Spectroscopy

    Kaplanskiy, M., Titova, A. A., Kostin, M. A. & Tupikina, E. Y., 2021, International Student Conference “Science and Progress” : conference abstracts. СПб: ООО "Сборка", p. 146

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

  10. HYDROGEN BONDING ABILITY OF XOOH (X = As, Sb, Bi) MOIETY IN VACUUM AND POLAR MEDIA: AB INITIO INVESTIGATION

    Korostelev, V. O., Tupikina, E. Y., Antonov, A. S. & Tolstoy, P. M., 2021, p. 543-545. 3 p.

    Research output: Contribution to conference › Paper

  11. HYDROGEN BOND STRENGTH EVALUATION FROM THE INTENSITIES OF STRETCHING VIBRATIONS IN IR SPECTRA

    Titova, A. A., Tupikina, E. Y. & Tolstoy, P. M., 2021, p. 645-648. 4 p.

    Research output: Contribution to conference › Paper

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