Zobrazeno 1 - 10
of 19
pro vyhledávání: '"Aleksey M. Shor"'
Autor:
Victor V. Verpekin, Oleg S. Chudin, Alexander D. Vasiliev, Alexander A. Kondrasenko, Aleksey M. Shor, Galina V. Burmakina, Dmitry V. Zimonin, Nikolai G. Maksimov, Anatoly I. Rubaylo
Publikováno v:
Dalton Transactions. 51:324-339
Approaches to the synthesis of trinuclear ReFePt clusters, their behaviour in solution and pathways of their redox-induced reactions are studied.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0891ebfa79fb696551026282d2034523
https://doi.org/10.1039/d1dt03750a
https://doi.org/10.1039/d1dt03750a
Publikováno v:
Journal of Siberian Federal University. Chemistry. :553-564
Metal–metal and metal–ligand bonding in vinylidene ReFePt complex was studied by density functional method and topological analysis of electron density. Topological analysis did not found direct bonding between the metal atoms pointing to indirec
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::606be841b8a3932362feb4ec7b544eb6
https://doi.org/10.17516/1998-2836-0205
https://doi.org/10.17516/1998-2836-0205
Autor:
Aleksey M. Shor, Vladimir A. Nasluzov, Svetlana S. Laletina, Elena A. Ivanova-Shor, I Rubaylo Anatoly
Publikováno v:
Journal of Siberian Federal University. Chemistry. :273-282
The density functional method was used to study vibrational frequenciesof the surface species involved in the reaction of the methanol dehydration via pathway CH₃OH→CH₃O→CH₂O→CHO→СОon a ideal Pt(111) surface and surface of nanoparticl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e971a75e7449960570c9d9168351ec44
https://doi.org/10.17516/1998-2836-0181
https://doi.org/10.17516/1998-2836-0181
Publikováno v:
The Journal of Physical Chemistry A. 124:3805-3814
We studied the hydration and the first hydrolysis reaction of U(IV) and Np(IV) ions in an aqueous environment, applying a relativistic density functional method together with a recently proposed variant of a continuum solvation model where the solute
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4ce28e30322035d545040a2609a2d703
https://doi.org/10.1021/acs.jpca.9b11862
https://doi.org/10.1021/acs.jpca.9b11862
Autor:
Svetlana S. Laletina, Mikhail Mamatkulov, Aleksey M. Shor, Elena A. Shor, Vasily V. Kaichev, Ilya V. Yudanov
Publikováno v:
Nanoscale. 14(11)
Methanol dehydrogenation on Pt nanoparticles was studied as a model reaction with the focus on size and structure effects employing the density functional theory approach. The effect of cluster morphology is manifested by the higher adsorption energy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f8017ce73a5faab465debca2d4dc34fc
https://pubmed.ncbi.nlm.nih.gov/35187555
https://pubmed.ncbi.nlm.nih.gov/35187555
Autor:
Victor V, Verpekin, Oleg S, Chudin, Alexander D, Vasiliev, Alexander A, Kondrasenko, Aleksey M, Shor, Galina V, Burmakina, Dmitry V, Zimonin, Nikolai G, Maksimov, Anatoly I, Rubaylo
Publikováno v:
Dalton transactions (Cambridge, England : 2003). 51(1)
A series of trinuclear μ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::52a65032e76188b7d4be9eef65785aeb
https://pubmed.ncbi.nlm.nih.gov/34897333
https://pubmed.ncbi.nlm.nih.gov/34897333
Autor:
Vladimir A. Nasluzov, Alexander Romanchenko, Yuri Mikhlin, Yevgeny Tomashevich, Aleksey M. Shor
Publikováno v:
The Journal of Physical Chemistry C. 123:21031-21041
The initial release of cations upon oxidation of metal sulfides commonly produces a metal-deficient surface and undersurface layers, which should greatly affect the properties of materials but are still poorly understood. We employed density function
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fe733e65e1f2cdf450253789cbfe0406
https://doi.org/10.1021/acs.jpcc.9b06127
https://doi.org/10.1021/acs.jpcc.9b06127
Publikováno v:
Surface Science. 681:38-46
Silver single atoms and small clusters supported on a model Ce21O42 nanoparticle have been studied computationally at a DFT+U level. It was found that silver atoms, trimers and tetramers are oxidized upon interaction with the {100} and {111} nanoface
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f512e14c6dd97f27ded3a59b845f0c01
https://doi.org/10.1016/j.susc.2018.11.002
https://doi.org/10.1016/j.susc.2018.11.002
Autor:
Aleksey M. Shor, Vladimir A. Nasluzov, Konstantin M. Neyman, Svetlana S. Laletina, Elena A. Ivanova-Shor
Publikováno v:
Dipòsit Digital de la UB
Universidad de Barcelona
Materials, Vol 14, Iss 6888, p 6888 (2021)
Materials
Volume 14
Issue 22
Universidad de Barcelona
Materials, Vol 14, Iss 6888, p 6888 (2021)
Materials
Volume 14
Issue 22
Various COx species formed upon the adsorption and oxidation of CO on palladium and silver single atoms supported on a model ceria nanoparticle (NP) have been studied using density functional calculations. For both metals M, the ceria-supported MCOx
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::16ff0c306e10b85b875f5fc458ad7d8e
http://hdl.handle.net/2445/184814
http://hdl.handle.net/2445/184814
Publikováno v:
Journal of Organometallic Chemistry. 961:122249
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c4775a69c52c6ce5c4c9f45d0fbf979f
https://doi.org/10.1016/j.jorganchem.2021.122249
https://doi.org/10.1016/j.jorganchem.2021.122249