Zobrazeno 1 - 10
of 21
pro vyhledávání: '"Pavel N. Zolotarev"'
Publikováno v:
Russian Journal of Forensic Medicine. 8:57-66
BACKGROUND: The present stage of modern civilization is characterized as a political, social, economic, and climatological evolution, with which the issue of effective functioning of the health system, population health status study and analysis, and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::816fd26ee5946d1a82eca4657415e7fd
https://doi.org/10.17816/fm712
https://doi.org/10.17816/fm712
Autor:
Roman A. Eremin, Innokentiy S. Humonen, Pavel N. Zolotarev, Inna V. Medrish, Leonid E. Zhukov, Semen A. Budennyy
Publikováno v:
Crystal Growth & Design. 22:4570-4581
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::58acacaf31250ec6599a03f398bebfcc
https://doi.org/10.1021/acs.cgd.2c00463
https://doi.org/10.1021/acs.cgd.2c00463
Autor:
Pavel N. Zolotarev
Publikováno v:
Crystal Growth & Design. 21:4959-4970
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6047543cd7b15a79162cfcb75a66205a
https://doi.org/10.1021/acs.cgd.1c00405
https://doi.org/10.1021/acs.cgd.1c00405
Publikováno v:
Crystal Growth & Design. 20:7152-7162
A set of structures of homomolecular organic crystals with information on the solvent utilized for crystallization was extracted from the Cambridge Structural Database in order to identify possible...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::96ef93ed526fb205d2c9261509310ef5
https://doi.org/10.1021/acs.cgd.0c00753
https://doi.org/10.1021/acs.cgd.0c00753
Autor:
Pavel N. Zolotarev, Tilmann Leisegang, Nadezhda A. Nekrasova, Andrey A. Golov, Roman A. Eremin
Publikováno v:
The Journal of Physical Chemistry C. 123:29533-29542
We present a comprehensive study on the influence of Ti doping on K+ migration in the K1–xFe1–xTixO2 solid electrolyte. A novel approach is proposed which is based on modeling of configurational spaces (CSs) and full sets of inequivalent migratio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5365e1d78776955dbf97a6e8782f3fa1
https://doi.org/10.1021/acs.jpcc.9b07535
https://doi.org/10.1021/acs.jpcc.9b07535
Publikováno v:
The Journal of Physical Chemistry C. 121:28293-28305
Here we have combined topological analysis, density functional theory (DFT) modeling, operando neutron diffraction, and machine learning algorithms within the comparative analysis of the known widely LiNiO2 (LNO) and LiNi0.8Co0.15Al0.05O2 (NCA) catho
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6c54ea92648cbf393458eba77e5f5064
https://doi.org/10.1021/acs.jpcc.7b09760
https://doi.org/10.1021/acs.jpcc.7b09760
Publikováno v:
Inorganic Chemistry. 56:11762-11767
A novel three-dimensional coordination network 1 in a new 4,5,6-connected topology (4,5,6T115) built from linear CuII4Cl3(H2O)2 clusters and tetrahedral tetrakis(3-pyridyl)vinylsilane ligands is reported. Utilizing a similar tetrahedral ligand, tetra
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9c257f994b2e93f8e8dd41dd00fa8518
https://doi.org/10.1021/acs.inorgchem.7b01781
https://doi.org/10.1021/acs.inorgchem.7b01781
Publikováno v:
PROCEEDINGS OF THE 23RD INTERNATIONAL SCIENTIFIC CONFERENCE OF YOUNG SCIENTISTS AND SPECIALISTS (AYSS-2019).
We present and test a procedure for selection of migration ion pathways, which is fast and rests upon topological analysis of model electron density distributions for big sets of promising solid electrolytes with known structure. The main idea of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e20faa3935f57f4725bea14ed4e35d4d
https://doi.org/10.1063/1.5130086
https://doi.org/10.1063/1.5130086
Publikováno v:
PROCEEDINGS OF THE 23RD INTERNATIONAL SCIENTIFIC CONFERENCE OF YOUNG SCIENTISTS AND SPECIALISTS (AYSS-2019).
We present a machine learning approach for evaluating thermodynamic properties within model compositional/configurational spaces (CCSs) of complex intermetallics with Mackay-type building units. Recently, by performing high-throughput density functio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5aff661399747d619dd548c8dfc25546
https://doi.org/10.1063/1.5130082
https://doi.org/10.1063/1.5130082
Autor:
Andrey V. Sokolov, P. P. Purygin, Pavel N. Zolotarev, Vladislav A. Blatov, Anna V. Vologzhanina
Publikováno v:
Crystal Growth & Design. 16:6354-6362
We applied the knowledge-based approaches from the CSD-Materials to three novel heterocycle-1-carbohydrazonamides, for which molecular geometry was obtained by means of ab initio calculations, to predict the topological properties of their supramolec
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b699bb4b83e740b757d7200715e00395
https://doi.org/10.1021/acs.cgd.6b00990
https://doi.org/10.1021/acs.cgd.6b00990