Výsledky vyhledávání - "Natalia S. Panina"

Akademický článek

Revealing the Minimum Energy Pathways for Formamide Hydrogenation Reactions in the Presence of Platinum and Platinum–Vanadium Clusters: A Quantum Chemical DFT/Nudged Elastic Band Study

Autor: Natalia S. Panina, Ilya N. Klyukin, Tatyana M. Buslaeva, Andrei I. Fischer

Publikováno v: Inorganics, Vol 11, Iss 10, p 384 (2023)

A detailed study on the stages of catalytic reactions involving platinum and platinum-vanadium clusters has been carried out. Minimum energy pathways (MEP) of reactions have been constructed via the DFT/PBE0/def2tzvp method using NEB functional and o

Externí odkaz: https://doaj.org/article/919dc14d69c04494beaecd25a6e3cfc3

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Penta- and dinuclear carboxylate nickel(II) complexes with pyrazole-based ligands: Syntheses, magnetic properties and DFT calculations

Autor: Andrey P. Zhdanov, Daniil O. Blinou, Natalia S. Panina, Artem A. Selyutin, Alexey A. Nikiforov, Evgenii N. Dubrov, Alexander E. Minkovich, Alexei V. Eremin, Vladislav V. Gurzhiy, I. N. Klyukin

Publikováno v: Polyhedron. 195:114971

«One pot» reactions of pyrazole-based ligands Hdmpz and PyPz with in situ formed carboxylate precursors led to the formation of mono- and di-aqua-bridged binuclear compounds, as well as pentanuclear hydroxo-bridged compound: [Ni2(μ-OH2)(μ-O2CC(CH

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::86df191d5714d068fceed856aa99be40
https://doi.org/10.1016/j.poly.2020.114971

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Geometrical and Linkage Isomers of [OsCl 2 (dmso) 4 ] − The Complete Picture

Autor: Barbara Serli, Enzo Alessio, Mario Calligaris, Ennio Zangrando, Natalia S. Panina

Publikováno v: European Journal of Inorganic Chemistry. 2003:3160-3166

The isomerisation between the three known isomers of the [OsCl2(dmso)4] complex — trans-[OsCl2(dmso-S)4] (1), cis,fac-[OsCl2(dmso-S)3(dmso-O)] (2), and cis-[OsCl2(dmso-S)4] (3) — has been investigated by NMR spectroscopy, X-ray crystallographic a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::02576b2d617158501db13374d44f773b
https://doi.org/10.1002/ejic.200300132

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DFT study of the role of intermolecular interactions in the formation of stable halogeno- and ammineaqua- platinum(II) coordination compounds

Autor: Svetlana A. Simanova, Mario Calligaris, Natalia S. Panina, Alexander N. Beljaev

Publikováno v: International Journal of Quantum Chemistry. 96:80-88

Density functional theory (DFT) and Hartree-Fock (HF) methods have been used to calculate the electronic and geometric structures of cis- and trans-[Pt(NH 3 ) 2 X 2 ] (X = Cl - , Br - , I - ), [cis-Pt(NH 3 ) 2 (H 2 O) 2 ] 2 + and its deprotonated for

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::404024dbbd013ef0bb00247b474fb229
https://doi.org/10.1002/qua.10644

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Akademický článek

Geometrical and Linkage Isomers of [OsCl2(dmso)4] - The Complete Picture.

Autor: Enzo Alessio, Barbara Serli, Ennio Zangrando, Mario Calligaris, Natalia S. Panina

Publikováno v: European Journal of Inorganic Chemistry; Sep2003, Vol. 2003 Issue 17, p3160, 7p

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