Zobrazeno 1 - 10
of 37
pro vyhledávání: '"Paweł Szarek"'
Autor:
James S.M. Anderson, Rodrigo Báez-Grez, Robert Balawender, Prasanta Bandyopadhyay, Yoshio Barrera, Carlos Cárdenas, Jyotirmoy Deb, Frank De Proft, Nidhi Deswal, Harkishan Dua, Jorge Garza, Paul Geerlings, Igor Barden Grillo, Wojciech Grochala, Aabid Hamid, Diego Inostroza, Savaş Kaya, Eugene S. Kryachko, Aleksey E. Kuznetsov, Bruno Landeros-Rivera, Juan Pablo Mojica-Sánchez, Samuel L.C. Moors, Roman F. Nalewajski, Sourav Pal, Debolina Paul, Ricardo Pino-Rios, Gerd Bruno Rocha, Ram Kinkar Roy, Jesús Sánchez-Márquez, Utpal Sarkar, Md. Motin Seikh, Thijs Stuyver, Paweł Szarek, William Tiznado, Gabriel Aires Urquiza-Carvalho, Ruben Van Lommel, Rubicelia Vargas, Margarita Viniegra, Alexander A. Voityuk, László von Szentpály, Sergei F. Vyboishchikov, Osvaldo Yañez
Publikováno v:
Chemical Reactivity ISBN: 9780323902595
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5418f9ce00984519f241640ebccc6ccd
https://doi.org/10.1016/b978-0-32-390259-5.00005-6
https://doi.org/10.1016/b978-0-32-390259-5.00005-6
Autor:
Wojciech Grochala, Paweł Szarek
Publikováno v:
Chemical Reactivity ISBN: 9780323902595
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bf80a98b9d54a51721e35b186c7ce7a9
https://doi.org/10.1016/b978-0-32-390259-5.00016-0
https://doi.org/10.1016/b978-0-32-390259-5.00016-0
Publikováno v:
Chemical Communications. 56:13137-13140
A series of pentaatomic species has been investigated theoretically with relativistic DFT using the M06-L functional with both ZORA scalar relativistic correction, and including spin–orbit coupling effects. The distorted quasi-octahedral local mini
Publikováno v:
Chemistry – A European Journal. 25:10290-10293
Theoretical calculations utilizing relativistic ZORA Hamiltonian point to the conceivable existence of an IrNO3 molecule in C3v geometry. This minimum is shown to correspond to genuine nonavalent iridium nitride trioxide, which is a neutral analogue
Publikováno v:
The Journal of Physical Chemistry C. 123:11572-11580
Decoding of atomic and ionic radii of transition metals in terms of energy response against changes in electron number and external potential variation has been considered. Energy as a functional of electron density by means of its derivatives is lin
Autor:
Łukasz Dobrzycki, Tomasz Jaroń, Mikołaj Grzeszkiewicz, Paweł Malinowski, Zoran Mazej, Adam Budniak, Piotr J. Leszczyński, Paweł Szarek, Jakub Gawraczyński, Wojciech Grochala, Michał K. Cyrański
Publikováno v:
Journal of Fluorine Chemistry. 218:105-110
Direct oxidative functionalization of C H bonds is an ongoing chemical challenge. Here we report results of the comparative tests of Ag(II)SO4 reactivity towards 24 selected fluoro- and/or trifluoromethyl-substituted aromatic hydrocarbons with ioniza
Publikováno v:
Chemical communications (Cambridge, England). 56(86)
A series of pentaatomic species has been investigated theoretically with relativistic DFT using the M06-L functional with both ZORA scalar relativistic correction, and including spin-orbit coupling effects. The distorted quasi-octahedral local minima
Autor:
Gisya Abdi, Grzegorz Cichowicz, Michał Krajewski, Marcin Strawski, Zoran Mazej, Karol J. Fijalkowski, Andrzej Szczurek, Krzysztof Kazimierczuk, Bartosz Hamankiewicz, Piotr J. Leszczyński, Paweł Szarek, Anna Filip
Publikováno v:
RSC advances. 10(66)
The discovery of properties and applications of unknown materials is one of the hottest research areas in materials science. In this work, we navigate a route towards these goals by the development of a new type of graphyne nanostructure. It is synth
Publikováno v:
Journal of molecular modeling. 26(3)
Rhodium, a 4d transition metal and a lighter analogue of iridium, is known to exhibit its highest VIth oxidation state in RhF
Autor:
Paweł Szarek
Publikováno v:
The Journal of Physical Chemistry C. 121:12593-12602
The particular role in the interaction with external electromagnetic fields is played by local dielectric environment, hence the electric permittivity of a medium. This includes both the intramolecular screening effects as well the neighbor interacti