1. 2021
  2. Quantum-chemical and molecular mechanics modelling of GaX-based (X = S, Se, and Te) single- and multi-walled nanotubes

    Evarestov, R. A., Bandura, A. V., Lukyanov, S. I. & Kuruch, D. D., 23 Aug 2021, 17-th V.A. Fock Meeting on Theoretical, Quantum and Computational Chemistry, Novgorod the Great, Russia, 23-27 August, 2021: Book of abstracts. p. 2283 1 p.

    Research output: Chapter in Book/Report/Conference proceedingConference abstracts

  3. The Nature of Chemical Bonds in the Tetragonal Polymorph of InTe: First-Principles-Based Topological Analysis

    Kovalenko, A. V., Bandura, A. V., Kuruch, D. D., Lukyanov, S. I. & Evarestov, R. A., Aug 2021, In: Physica Status Solidi (B) Basic Research. 258, 8, 7 p., 2100072.

    Research output: Contribution to journalArticlepeer-review

  4. Antiferromagnetism-Induced Spin Splitting in Systems Described by Magnetic Layer Groups

    Egorov, S. A., Litvin, D. B. & Evarestov, R. A., 29 Jul 2021, In: Journal of Physical Chemistry C. 125, 29, p. 16147-16154 8 p.

    Research output: Contribution to journalArticlepeer-review

  5. Solid-state and solution-state self-association of dimethylarsinic acid: IR, NMR and theoretical study

    Mulloyarova, V. V., Puzyk, A. M., Efimova, A. A., Antonov, A. S., Evarestov, R. A., Aliyarova, I. S., Asfin, R. E. & Tolstoy, P. M., 15 Jun 2021, In: Journal of Molecular Structure. 1234, 9 p., 130176.

    Research output: Contribution to journalArticlepeer-review

  6. Biocompatible Ir(III) Complexes as Oxygen Sensors for Phosphorescence Lifetime Imaging

    Критченков, И. С., Соломатина, А. И., Козина, Д. О., Порсев, В. В., Соколов, В. В., Ширманова, М., Лукина, М., Комарова, А. Д., Щеславский, В., Беляева, Т., Литвинов, И., Салова, А., Корнилова, Е. С., Качкин, Д. В. & Туник, С. П., 13 May 2021, In: Molecules. 26, 10, 22 p., 2898.

    Research output: Contribution to journalArticlepeer-review

  7. Colossal Spin Splitting in the Monolayer of the Collinear Antiferromagnetic MnF2

    Egorov, S. A. & Evarestov, R. A., 5 Mar 2021, In: Journal of Physical Chemistry Letters. 12, 9, p. 2363-2369

    Research output: Contribution to journalArticlepeer-review

  8. Argentophillic interactions in argentum chalcogenides: First principles calculations and topological analysis of electron density

    Evarestov, R. A., Panin, A. I. & Tverjanovich, Y. S., 5 Feb 2021, In: Journal of Computational Chemistry. 42, 4, p. 242-247 6 p.

    Research output: Contribution to journalArticlepeer-review

  9. Lattice Dynamics and Thermodynamic Properties of Bulk Phases and Monolayers of GaTe and InTe: A Comparison from First-Principles Calculations

    Bandura, A., Kovalenko, A., Kuruch, D. & Evarestov, R., 15 Jan 2021, In: European Journal of Inorganic Chemistry. 2021, 2, p. 126-138 13 p.

    Research output: Contribution to journalArticlepeer-review

  10. FIRST PRINCIPLES STUDY OF HELICAL NANOSTRUCTURES: A CASE OF NANOHELICENES

    Evarestov, R. A. & Porsev, V. V., 2021, XII International Conference on Chemistry for Young Scientists "Mendeleev 2021": Book of abstracts. p. 24 1 p.

    Research output: Chapter in Book/Report/Conference proceedingConference abstracts

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