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1

Theoretical study of adsorption properties and CO oxidation..:

Radina, Aleksandra D. ; Baidyshev, Viktor S. ; Chepkasov, Ilya V....
Scientific Reports. 14 (2024) 1 - p. , 2024

Link: https://doi.org/10.1038/..

2

Generating and grading 34 optimised norm-conserving Vanderb..:

Tantardini, Christian ; Iliaš, Miroslav ; Giantomassi, Matteo...
Computer Physics Communications. 295 (2024) - p. 109002 , 2024

Link: https://doi.org/10.1016/..

3

Photocatalytic H2 generation and CO2 reduction by WB5-x coc..:

Yu. Kurenkova, Anna ; Radina, Aleksandra D. ; Baidyshev, Viktor S....
Applied Surface Science. 661 (2024) - p. 160095 , 2024

Link: https://doi.org/10.1016/..

4

Structure-driven tuning of catalytic properties of core–she..:

Chepkasov, Ilya V. ; Radina, Aleksandra D. ; Kvashnin, Alexander G.
Nanoscale. 16 (2024) 12 - p. 5870-5892 , 2024

Link: https://doi.org/10.1039/..

5

Origin of brittle behavior of doped PbTe-based thermoelectr..:

Chepkasov, Ilya V. ; Kvashnin, Alexander G. ; Radina, Aleksandra D....
Applied Physics Letters. 124 (2024) 2 - p. , 2024

Link: https://doi.org/10.1063/..

6

Mechanical Properties of Single and Polycrystalline Solids ..:

Jalolov, Faridun N. ; Podryabinkin, Evgeny V. ; Oganov, Artem R...
Advanced Theory and Simulations. 7 (2024) 5 - p. , 2024

Link: https://doi.org/10.1002/..

7

Reactivity of diamanes against oxidation: A DFT study:

Kaya, Savaş ; Dua, Harkishan ; Sarkar, Utpal..
Chemical Physics. 571 (2023) - p. 111916 , 2023

Link: https://doi.org/10.1016/..

8

Tuning the surface properties of AuPd nanoparticles for ads..:

Chepkasov, Ilya V. ; Zamulin, Ivan S. ; Baidyshev, Viktor S..
Physical Chemistry Chemical Physics. 25 (2023) 48 - p. 33031-33037 , 2023

Link: https://doi.org/10.1039/..

9

Ionic Conductivity of Lithium Phosphides:

Maltsev, Alexey P. ; Chepkasov, Ilya V. ; Kvashnin, Alexander G..
Crystals. 13 (2023) 5 - p. 756 , 2023

Link: https://doi.org/10.3390/..

10

Electronic Properties of Functionalized Diamanes for Field-..:

Tantardini, Christian ; Kvashnin, Alexander G. ; Azizi, Maryam...
ACS Applied Materials & Interfaces. 15 (2023) 12 - p. 16317-16326 , 2023

Link: https://doi.org/10.1021/..

11

Non‐Fermi‐Liquid Behavior of Superconducting SnH4:

Troyan, Ivan A. ; Semenok, Dmitrii V. ; Ivanova, Anna G....
Advanced Science. 10 (2023) 30 - p. , 2023

Link: https://doi.org/10.1002/..

12

Machine learning-driven synthesis of TiZrNbHfTaC5 high-entr..:

Pak, Alexander Ya. ; Sotskov, Vadim ; Gumovskaya, Arina A....
npj Computational Materials. 9 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

13

Diamane quasicrystals:

Chernozatonskii, Leonid A. ; Demin, Victor A. ; Kvashnin, Alexander G..
Applied Surface Science. 572 (2022) - p. 151362 , 2022

Link: https://doi.org/10.1016/..

14

Sr‐Doped Superionic Hydrogen Glass: Synthesis and Propertie..:

Semenok, Dmitrii V. ; Chen, Wuhao ; Huang, Xiaoli...
Advanced Materials. 34 (2022) 27 - p. , 2022

Link: https://doi.org/10.1002/..

15

GIPAW Pseudopotentials of d Elements for Solid-State NMR:

Tantardini, Christian ; Kvashnin, Alexander G. ; Ceresoli, Davide
Materials. 15 (2022) 9 - p. 3347 , 2022

Link: https://doi.org/10.3390/..

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