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  1. 2024

  2. First-principles definition of ionicity and covalency in molecules and solids

    Anisimov, V., Oganov, A., Korotin, D., Novoselov, D., Shorikov, A. & Belozerov, A., 14 Apr 2024, In: The Journal of chemical physics. 160, 14, 144113.

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

  3. 2023

  4. Electronic Transport via Interstitial States in Mayenite Electride

    Mazannikova, M. A., Korotin, D. M., Shorikov, A. O., Anisimov, V. I. & Novoselov, D. Y., 11 May 2023, In: Journal of Physical Chemistry C. 127, 18, p. 8714-8719 6 p.

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

  5. Electronic correlations in the ultranarrow energy band compound Pb9Cu(PO4)6O: A DFT+DMFT study

    Korotin, D., Novoselov, D., Shorikov, A., Anisimov, V. & Oganov, A., 2023, In: Physical Review B. 108, 24, L241111.

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

  6. Exploring correlation effects and volume collapse during electride dimensionality change in Ca2N

    Novoselov, D., Mazannikova, M., Korotin, D., Shorikov, A., Anisimov, V. & Oganov, A., 2023, In: Physical Chemistry Chemical Physics. 25, 45, p. 30960-30965 6 p.

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

  7. 2022

  8. Erratum to: Theoretical Modeling of High Spin to Low Spin Transition and Structural Stability Under Pressure in CaFeO3 (JETP Letters, (2022), 116, 9, (634-637), 10.1134/S0021364022601993)

    Shorikov, A. O. & Mikheev, M. N., Nov 2022, In: JETP Letters. 116, 9, p. 662-662 1 p.

    Research output: Contribution to journal › Comment/debate › peer-review

  9. Theoretical Modeling of High Spin to Low Spin Transition and Structural Stability Under Pressure in CaFeO3

    Shorikov, A. O., Nov 2022, In: JETP Letters. 116, 9, p. 634-637 4 p.

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

  10. Localization Mechanism of Interstitial Electronic States in Electride Mayenite

    Novoselov, D. Y., Mazannikova, M. A., Korotin, D. M., Shorikov, A. O., Korotin, M. A., Anisimov, V. I. & Oganov, A. R., 11 Aug 2022, In: Journal of Physical Chemistry Letters. 13, 31, p. 7155-7160 6 p.

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

  11. Importance of the many-body effects on the structural properties of the novel iron oxide Fe2O

    Shorikov, A. O. & Streltsov, S. V., 13 May 2022, In: Physical Chemistry Chemical Physics. 24, 20, p. 12383-12388 6 p.

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

  12. Orbital Selective Localization Enhancement in Ca2 – xSrxRuO4

    Shorikov, A. O., Novoselov, D. Y., Korotin, D. M. & Anisimov, V. I., 2022, In: JETP Letters. 116, 11, p. 798-803 6 p.

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

  13. ORBITAL SELECTIVE LOCALIZATION ENHANCEMENT IN CA2-XSRXRUO4

    Shorikov, A. O., Novoselov, D. Y., Korotin, D. M. & Anisimov, V. I., 2022, In: Письма в Журнал экспериментальной и теоретической физики. 116, 11-12 (12), p. 777-778 2 p.

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

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