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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. Dimensionality-Driven Evolution of Electronic Structure and Transport Properties in Pressure-Induced Phases of Ca2N Electride

    Mazannikova, M., Korotin, D., Anisimov, V., Oganov, A. & Novoselov, D., 1 Nov 2023, In: JETP Letters. 118, 9, p. 651-657 7 p.

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

  5. 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

  6. Formal Valence, Charge Distribution, and Chemical Bond in a Compound with a High Oxidation State: KMnO4

    Anisimov, V. I., Oganov, A. R., Mazannikova, M. A., Novoselov, D. Y. & Korotin, D. M., 1 Mar 2023, In: JETP Letters. 117, 5, p. 377-383

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

  7. 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

  8. Evolution from two- to one-dimensional magnetic interactions in Cu2 F5-x through electron doping by fluoride nonstoichiometry

    Korotin, D. M., Novoselov, D. Y. & Anisimov, V. I., 2023, In: Physical Review B. 107, 9, 094430.

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

  9. 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

  10. Formal Valence, Charge Distribution, and Chemical Bond in a Compound with a High Oxidation State: KMnO4

    Anisimov, V. I., Oganov, A. R., Mazannikova, M. A., Novoselov, D. Y. & Korotin, D. M., 2023, In: Письма в Журнал экспериментальной и теоретической физики. 117, 5-6 (3), p. 385-386 2 p.

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

  11. Эволюция электронной структуры и транспортных свойств Ca2N при изменении размерности электридного подпространства под давлением

    Мазанникова, М. А., Коротин, Д. М., Анисимов, В. И., Оганов, А. Р. & Новоселов, Д. Ю., 2023, In: Письма в Журнал экспериментальной и теоретической физики. 118, 9-10 (11), p. 664-670 7 p.

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

  12. 2022

  13. Prediction of Stable Silver Fluorides

    Rybin, N., Chepkasov, I., Novoselov, D. Y., Anisimov, V. I. & Oganov, A. R., 8 Sept 2022, In: Journal of Physical Chemistry C. 126, 35, p. 15057-15063 7 p.

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

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