Výsledky vyhledávání - "Sergey Aldoshin"

Akademický článek

Functional Properties of Tetrameric Molecular Cells for Quantum Cellular Automata: A Quantum-Mechanical Treatment Extended to the Range of Arbitrary Coulomb Repulsion

Autor: Andrew Palii, Sergey Aldoshin, Boris Tsukerblat

Publikováno v: Magnetochemistry, Vol 8, Iss 8, p 92 (2022)

We discuss the problem of electron transfer (ET) in mixed valence (MV) molecules that is at the core of molecular Quantum Cellular Automata (QCA) functioning. Theoretical modelling of tetrameric bi-electronic MV molecular square (prototype of basic Q

Externí odkaz: https://doaj.org/article/fc4597eff5da429aa18a072257653aa3

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Akademický článek

In Quest of Molecular Materials for Quantum Cellular Automata: Exploration of the Double Exchange in the Two-Mode Vibronic Model of a Dimeric Mixed Valence Cell

Autor: Boris Tsukerblat, Andrew Palii, Sergey Aldoshin

Publikováno v: Magnetochemistry, Vol 7, Iss 5, p 66 (2021)

In this article, we apply the two-mode vibronic model to the study of the dimeric molecular mixed-valence cell for quantum cellular automata. As such, we consider a multielectron mixed valence binuclear d2−d1–type cluster, in which the double exc

Externí odkaz: https://doaj.org/article/306eed5b600c4d1dbe5668c808375996

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Akademický článek

Can the Double Exchange Cause Antiferromagnetic Spin Alignment?

Autor: Andrew Palii, Juan M. Clemente-Juan, Sergey Aldoshin, Denis Korchagin, Evgenii Golosov, Shmuel Zilberg, Boris Tsukerblat

Publikováno v: Magnetochemistry, Vol 6, Iss 3, p 36 (2020)

The effect of the double exchange in a square-planar mixed-valence dn+1−dn+1−dn−dn–type tetramers comprising two excess electrons delocalized over four spin cores is discussed. The detailed analysis of a relatively simple d2−d2−d1−d1–

Externí odkaz: https://doaj.org/article/0c9d0506821f4bf2bfff9f19cd908176

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Akademický článek

Reversible Dissociation and Ligand-Glutathione Exchange Reaction in Binuclear Cationic Tetranitrosyl Iron Complex with Penicillamine

Autor: Lidia Syrtsova, Natalia Sanina, Konstantin Lyssenko, Evgeniy Kabachkov, Boris Psikha, Natal’ja Shkondina, Olesia Pokidova, Alexander Kotelnikov, Sergey Aldoshin

Publikováno v: Bioinorganic Chemistry and Applications, Vol 2014 (2014)

This paper describes a comparative study of the decomposition of two nitrosyl iron complexes (NICs) with penicillamine thiolic ligands [Fe2(SC5H11NO2)2(NO)4]SO4·5H2O (I) and glutathione- (GSH-) ligands [Fe2(SC10H17N3O6)2(NO)4]SO4·2H2O (II), which s

Externí odkaz: https://doaj.org/article/8b301d30470f4e24b3df471a004e97ff

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Spin polarization effects in trigonal mixed-valence complexes exhibiting double exchange supported by external spin-cores

Autor: Andrew Palii, Denis Korchagin, Ksenya Kondrina, Sergey Aldoshin, Shmuel Zilberg, Boris Tsukerblat

Publikováno v: The Journal of Chemical Physics. 158

The theory of the magnetic coupling between the localized spins, mediated by the mobile excess electron, is generalized to the case of a trigonal, six-center, four-electron molecule with partial valence delocalization. The combination of the electron

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::df5b790eea36e814666a565dd34a75f2
https://doi.org/10.1063/5.0147019

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First-principles study of the defect-activity and optical properties of FAPbCl3

Autor: Sean Nations, Lavrenty Gutsev, Bala Ramachandran, Sergey Aldoshin, Yuhua Duan, Shengnian Wang

Publikováno v: Materials Advances. 3:3897-3905

A theoretical defect formation energy study on FAPbCl3 reveals importance of optoelectronic structure.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::118c6b4e6b487f1d647b2544ddb51de7
https://doi.org/10.1039/d2ma00087c

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Vibronic recovering of functionality of quantum cellular automata based on bi-dimeric square cells with violated condition of strong Coulomb repulsion

Autor: Boris Tsukerblat, Andrew Palii, Shmuel Zilberg, Denis Korchagin, Sergey Aldoshin, Juan Modesto Clemente-Juan

Publikováno v: Tsukerblat, Boris Palii, Andrew Zilberg, Shmuel Korchagin, Denis Aldoshin, Sergey Clemente Juan, Juan Modesto 2022 Vibronic recovering of functionality of quantum cellular automata based on bidimeric square cells with violated condition of strong Coulomb repulsion Journal of Chemical Physics 157 7 074308-1 074308-16

Strong Coulomb repulsion between the two charges in a square planar mixed-valence cell in quantum cellular automata (QCA) allows us to encode the binary information in the two energetically beneficial diagonal distributions of the electronic density.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c6aa124a2cd866e52fa6d8c84d204855
https://pubmed.ncbi.nlm.nih.gov/35987591

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