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  1. 2023

  2. NMR detection of the strained metallacycles in organolithiums: theoretical study

    Капланский, М. В., Тупикина, Е. Ю., Антонов, А. С. & Карпов, В. В., 26 Dec 2023, (E-pub ahead of print) In: Organic & biomolecular chemistry.

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

  3. 2022

  4. Choice of computational protocol for carbon-lithium spin–spin coupling constants 1JCLi

    Karpov, V. V., Antonov, A. S. & Tupikina, E. Y., Oct 2022, In: Magnetic Resonance in Chemistry. 60, 10, p. 985-995 11 p.

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

  5. Computational aspects of carbon-lithium spin-spin coupling constants

    Karpov, V., Tupikina, E. & Antonov, A., 1 Apr 2022, Magnetic Resonance and its Applications. Spinus-2022: Spinus-2022. Издательство Санкт-Петербургского университета, p. 92-93

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

  6. Investigating the mechanism of catalytic action of antioxidant enzyme glutathione peroxidase in the redox reactions of peroxides by means of quantum chemistry

    Tupikina, E., Karpov, V. & Tolstoy, P., 2022, Magnetic Resonance and its Applications. Spinus-2022 : Proceedings . СПб.: Издательство Санкт-Петербургского университета, p. 45-46

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

  7. 2021

  8. Lithiation of 2,4,5,7-Tetrabromo-1,8-bis(dimethylamino)naphthalene: Peculiarities of Directing Groups’ Effects and the Possibility of Polymetalation

    Якубенко, А. А., Карпов, В. В., Тупикина, Е. Ю. & Антонов, А. С., 8 Nov 2021, In: Organometallics. 40, 21, p. 3627-3636 10 p.

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

  9. Hydration of selenolate moiety: Ab initio investigation of properties of O-HMIDLINE HORIZONTAL ELLIPSISSe(-) hydrogen bonds in CH3Se(-)MIDLINE HORIZONTAL ELLIPSIS(H2O)(n) clusters

    Карпов, В. В., Пузык, А. М., Толстой, П. М. & Тупикина, Е. Ю., 30 Oct 2021, In: Journal of Computational Chemistry. 42, 28, p. 2014-2023 10 p., 28.

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

  10. 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

  11. 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

  12. 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

  13. 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

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