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  1. 2020

  2. Quantum chemical investigation of electronic structure of selenocysteine as a model of antioxidant enzyme glutathione peroxidase in redox reactions

    Karpov, V. & Tupikina, E., 10 Nov 2020, p. 179. 253 p.

    Research output: Contribution to conference › Abstract

  3. Stretching force constants as descriptors of energy and geometry of F···HF hydrogen bonds

    Tupikina, E. Y., Tokhadze, K. G., Karpov, V. V., Denisov, G. S. & Tolstoy, P. M., 5 Nov 2020, In: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 241, 6 p., 118677.

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

  4. Aggregation Behavior of Lithionaphthalenes in Solution: Experimental and Theoretical Study

    Antonov, A. S., Karpov, V. V., Tupikina, E. Y., Tolstoy, P. M. & Vovk, M. A., 26 Oct 2020, In: Organometallics. 39, 20, p. 3705–3714 10 p.

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

  5. Lone pairs mapping by Laplacian of 3He NMR chemical shift

    Tupikina, E. Y., Tokhadze, K. G., Denisov, G. S. & Tolstoy, P. M., 5 May 2020, In: Journal of Computational Chemistry. 41, 12, p. 1194-1199 6 p.

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

  6. Unusual behaviour of the spin-spin coupling constant 1JCH upon formation of CHX hydrogen bond

    Tupikina, E. Y., Denisov, G. S., Antonov, A. S. & Tolstoy, P. M., 28 Jan 2020, In: Physical chemistry chemical physics : PCCP. 22, 4, p. 1994-2000 7 p.

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

  7. 2019

  8. Anticooperativity of FH···Cl− hydrogen bonds in [FH)nCl]− clusters (n = 1…6)

    Tupikina, E. Y., Denisov, G. S. & Tolstoy, P. M., 15 Dec 2019, In: Journal of Computational Chemistry. 40, 32, p. 2858-2867 10 p.

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

  9. Correlations of NHN hydrogen bond energy with geometry and 1H NMR chemical shift difference of NH protons for aniline complexes

    Tupikina, E. Y., Sigalov, M., Shenderovich, I. G., Mulloyarova, V. V., Denisov, G. S. & Tolstoy, P. M., 21 Mar 2019, In: Journal of Chemical Physics. 150, 11, p. 1-10 10 p., 114305.

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

  10. How to estimate hydrogen bond energies from NMR spectra

    Tupikina, E. Y., Tolstoy, P. M., Mulloyarova, V. V., Giba, I. S. & Denisov, G. S., 2019, Magnetic Resonance and Its Applications: Proceedings 16th International School-Conference. SPb: Издательство «ВВМ», p. 60-62

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

  11. NMR Diagnostics of Hydrogen Bond Energy and Geometry

    Толстой, П. М., Муллоярова, В. В., Тупикина, Е. Ю., Острась, А. С., Костин, М. А. & Денисов, Г. С., 2019.

    Research output: Contribution to conference › Abstract

  12. Outer electronic shell visualization by the Laplacian of helium chemical shift

    Толстой, П. М., Тупикина, Е. Ю. & Денисов, Г. С., 2019.

    Research output: Contribution to conference › Abstract

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