1 - 10 out of 15Page size: 10
  1. 2025

  2. Spectral–Structural Correlations in NHN, OHO, and NHO Hydrogen Bonds: Accounting for Quantum Delocalization of the Bridging Proton via One-Dimensional Schrödinger Equation Solutions

    Капланский, М. В. & Тупикина, Е. Ю., 26 Nov 2025, In: Journal of Computational Chemistry. 46, 31, e70282.

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

  3. Deconstructing ¹H NMR Chemical Shifts in Strong Hydrogen Bonds: A Computational Investigation of Solvation, Dynamics, and Nuclear Delocalization Effects

    Капланский, М. В., Шитов, Д. А., Толстой, П. М. & Тупикина, Е. Ю., 26 May 2025, In: Journal of Chemical Information and Modeling. 65, 10, p. 5019–5034 16 p., 10.

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

  4. 2024

  5. Influence of the Fe(II) Spin State on Iron-Ligand Bonds in Heme Model Iron-Porphyrin Complexes with 4, 5 and 6 Ligands

    Шитов, Д. А., Капланский, М. В. & Тупикина, Е. Ю., 30 Sep 2024, (E-pub ahead of print) In: ChemPlusChem. e202400550.

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

  6. DYNAMIC OF NON-COVALENT INTERACTIONS DURING THE P–O BOND CLEAVAGE BY RIBONUCLEASE A

    Круглов, М. Л., Капланский, М. В. & Тупикина, Е. Ю., 6 Sep 2024, BOOK OF ABSTRACTS XIII International Conference on Chemistry for Young Scientists “MENDELEEV 2024”.

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

  7. INFLUENCE OF IRON SPIN STATE AND LIGAND NUMBER ON ELECTRONIC STRUCTURE OF MODEL HEMOPROTEINS

    Шитов, Д. А., Капланский, М. В. & Тупикина, Е. Ю., 6 Sep 2024, BOOK OF ABSTRACTS XIII International Conference on Chemistry for Young Scientists “MENDELEEV 2024”.

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

  8. THERMAL, SOLVATION AND QUANTUM EFFECTS IN MODELING OF HYDROGEN BONDS SPECTRAL PROPERTIES

    Капланский, М. В., Толстой, П. М. & Тупикина, Е. Ю., 6 Sep 2024, BOOK OF ABSTRACTS XIII International Conference on Chemistry for Young Scientists “MENDELEEV 2024”.

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

  9. Исследование роли невалентных взаимодействий в активном центре рибонуклеазы А

    Капланский, М. В. & Тупикина, Е. Ю., 9 Apr 2024, XXVII Всероссийская конференция молодых учёных-химиков. p. 462

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

  10. Transition-Metal-Free Synthesis of 2-Substituted Benzo[cd]Indoles via the Reaction of 1-Halo-8-lithionaphthalenes with Nitriles

    Капланский, М. В., Антонов, А. С. & Цыбулин, С. В., 23 Jan 2024, In: Chemistry - A European Journal. 30, 10, e202303768.

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

  11. Dynamics of non-covalent interactions during the P–O bond cleavage reaction by ribonuclease A

    Капланский, М. В., Круглов, М. Л., Ванин, А. А. & Тупикина, Е. Ю., 2024, In: PCCP: Physical Chemistry Chemical Physics. 26, p. 21061-21073

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

  12. 2023

  13. 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

Previous 1 2 Next

ID: 45563755