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  1. 2019

  2. The effect of elliptical polarization in MSXα calculations of the molecular-frame photoelectron angular distributions of CO C(1s) ionization

    Golovin, A. V., Anielski, D., Gordeev, S. V., Lagodinski, V. M., Chizhov, Y. V., Küpper, J. & Rolles, D., 1 Jul 2019, In: European Physical Journal D. 73, 7, 7 p., 131.

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

  3. 2018

  4. Electronic-state-driven adsorption of O2 on a nanocrystalline TiO2 under ‘dark’ and UV-irradiation conditions: Ab initio study

    Kevorkyants, R., Sboev, M. N. & Chizhov, Y. V., 16 Apr 2018, In: Chemical Physics Letters. 698, p. 97-101 5 p.

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

  5. Electronically exited states in triphenylphosphine complexes of Ruthenium (II): TD DFT study

    Krauklis, I. V., Reshetova, K. I., Podkopaeva, O. Y. & Chizhov, Y. V., 2018, In: Journal of Photochemistry and Photobiology A: Chemistry. 354, p. 112-118

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

  6. 2017

  7. Comparative analysis of metal-binding centers in homologous domains of human coagulation factor VIII and ceruloplasmin

    Krauklis, I. V., Chizhov, Y. V., Maslov, V. G., Stefanov, V. E. & Moshkov, K. A., 6 Dec 2017, In: Journal of Evolutionary Biochemistry and Physiology. 53, 5, p. 427-430 4 p.

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

  8. Сравнительный анализ центров связывания металла в гомологичных доменах фактора FVIII свертывания крови и церулоплазмина человека

    Крауклис, И. В., Чижов, Ю. В., Маслов, В. Г., Стефанов, В. Е. & Мошков, К. А., 2017, In: ЖУРНАЛ ЭВОЛЮЦИОННОЙ БИОХИМИИ И ФИЗИОЛОГИИ. 53, 5, p. 380-383

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

  9. 2016

  10. The origin of 1560 cm(-1) band in experimental IR spectra of water adsorbed on TiO2 surface: Ab initio assessment

    Kevorkyants, R., Rudakova, A. V., Chizhov, Y. V. & Bulanin, K. M., 1 Oct 2016, In: Chemical Physics Letters. 662, p. 97-101 5 p.

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

  11. Application of DFT for the Modeling of the Valence Region Photoelectron Spectra of Boron and d-Element Complexes and Macromolecules

    Osmushko, I. S., Vovna, V. I., Tikhonov, S. A., Chizhov, Y. V. & Krauklis, I. V., 2016, In: International Journal of Quantum Chemistry. 116, 4, p. 325–332

    Research output: Contribution to journal › Article

  12. Quantum chemical modeling of mutation-induced amino acid substitutions in the copper-binding site of azurin

    Chizhov, Y. V., Krauklis, I. V., Maslov, V. G., Stefanov, V. E. & Moshkov, K. A., 2016, In: Journal of Evolutionary Biochemistry and Physiology. 52, 6, p. 507-508

    Research output: Contribution to journal › Article

  13. Spectroscopy and quantum-chemical calculations of nitro-bis-bipyridyl complexes of ruthenium(II) with 4-substituted pyridine ligands

    Reshetova, K. I., Krauklis, I. V., Litke, S. V., Ershov, A. Y. & Chizhov, Y. V., 2016, In: Optics and Spectroscopy (English translation of Optika i Spektroskopiya). 120, 4, p. 566–574

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

  14. The structure and aromaticity of 1,4 and 1,5 dihydro diazocine, dioxocine, hydro oxazocine: Ab initio CCSD(T) singlet potential energy surface study

    Kevorkyants, R. & Chizhov, Y. V., 2016, In: Tetrahedron Letters. 57, 3, p. 340–344

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

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