Zobrazeno 1 - 10
of 127
pro vyhledávání: '"A.A. Rybakov"'
Autor:
Vladimir Alexandrovich Larin, Dmitrii N. Trubnikov, S. Todorova, Alexander V. Larin, A.A. Rybakov
Publikováno v:
CrystEngComm. 24:143-155
A simplified computational scheme for “deposition” of a metallic (Pd) monolayer on semi-ionic supports is considered. An arbitrary selection of the initial position of the deposited layer relative to the surface of the support cannot provide the
Publikováno v:
Dalton Transactions. 50:8863-8876
The importance of the “heterogeneity” of a Pd monolayer induced by interaction with a semi-ionic support in catalysis was evaluated. The geometry of the Pd monolayer was optimized on the (100) plane of γ-Al2O3 at fixed unit cell parameters defin
Publikováno v:
Palii, Andrew Clemente Juan, Juan Modesto Rybakov, Andrey Aldoshin, Sergey Tsukerblat, Boris 2021 Toward multifunctional molecular cells for quantum cellular automata: exploitation of interconnected charge and spin degrees of freedom Physical Chemistry Chemical Physics 23 26 14511 14528
RODERIC. Repositorio Institucional de la Universitat de Valéncia
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RODERIC. Repositorio Institucional de la Universitat de Valéncia
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We discuss the possibility of using mixed-valence (MV) dimers comprising paramagnetic metal ions as molecular cells for quantum cellular automata (QCA). Thus, we propose to combine the underlying idea behind the functionality of QCA of using the char
Autor:
Andrew Palii, Juan M. Clemente-Juan, Boris Tsukerblat, Shmuel Zilberg, Sergey M. Aldoshin, A.A. Rybakov, Denis V. Korchagin
Publikováno v:
The Journal of Physical Chemistry C. 124:25602-25614
In this article, we propose to use multielectron square-planar mixed-valence (MV) molecules as molecular cells for quantum cellular automata (QCA) devices. As distinguished from previous proposals ...
Publikováno v:
Chemical Communications. 56:10682-10685
In this communication we propose to considerably extend the class of systems suitable as cells for quantum cellular automata by including magnetic quantum dots and molecular mixed valence dimers exhibiting double exchange. As distinguished from the p
Publikováno v:
Materials Chemistry and Physics. 294:126929
Publikováno v:
Microporous and Mesoporous Materials. 343:112125
Publikováno v:
Russian Journal of Physical Chemistry A. 93:1880-1895
The history of developing ways of calculating atomic multipole moments is briefly described along with stages of the development and specific features of contemporary approaches in this field. A way based on the approach used by Saunders et al. is pr
Publikováno v:
The Journal of Physical Chemistry C. 123:22614-22623
Quantum dot cellular automata is a computing paradigm based on transistor-free logic, which in turn relies on the idea of encoding binary information in bistable charge configurations of quantum do...
Publikováno v:
The Journal of Physical Chemistry Letters. 10:2191-2195
An effect of deblocking of small size (8R, D8R) pores in zeolites due to cation drift is analyzed by using ab initio molecular dynamics (AIMD) at the PBE-D2/PAW level. The effect of carbonate and hydrocarbonate species on the carbon dioxide uptake in