Zobrazeno 1 - 10
of 76
pro vyhledávání: '"Piotr Kubisiak"'
Publikováno v:
ACS Omega, Vol 5, Iss 22, Pp 12842-12852 (2020)
Externí odkaz:
https://doaj.org/article/5db3f6d496df4c6f99c6417906470da6
Autor:
Paulina Chytrosz-Wrobel, Monika Golda-Cepa, Piotr Kubisiak, Waldemar Kulig, Lukasz Cwiklik, Andrzej Kotarba
The biomaterial surface can be essentially upgraded with the therapeutic function by the introduction of controlled, local elution of biologically active molecules. The use of ultrasonic -assisted formation of nanoparticles with controlled size and m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::095899c404fd35d8c9a9a76e0225f8b3
https://ruj.uj.edu.pl/xmlui/handle/item/309682
https://ruj.uj.edu.pl/xmlui/handle/item/309682
Publikováno v:
The Journal of Physical Chemistry. B
Classical polarizable molecular dynamics simulations have been performed for LiTFSI solutions in the EMIM-TFSI ionic liquid. Different temperature or pressure values and salt concentrations have been examined. The structure and dynamics of the solvat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9554b732367a8f6d8e67aaed0b4cd929
https://doi.org/10.1021/acs.jpcb.1c07782
https://doi.org/10.1021/acs.jpcb.1c07782
Publikováno v:
The Journal of Physical Chemistry. B
Classical molecular dynamics simulations have been performed for a series of electrolytes based on sodium bis(fluorosulfonyl)imide or sodium bis(trifluoromethylsulfonyl)imide salts and monoglyme, tetraglyme, and poly(ethylene oxide) as solvents. Stru
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9c56e1b2c063b96569f3ac46610eade6
http://europepmc.org/articles/PMC8450900
http://europepmc.org/articles/PMC8450900
Publikováno v:
The Journal of Physical Chemistry B. 125:1248-1258
Classical and ab initio molecular dynamics (MD) simulations have been performed for electrolytes based on LiTFSI and NaTFSI solutions in ethylene carbonate and its mono- and difluoro derivatives. Differences between electrolytes with Li
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a6e6a1dcfbc3941d4d7b04df4c420c45
https://doi.org/10.1021/acs.jpcb.0c10622
https://doi.org/10.1021/acs.jpcb.0c10622
Simulations of ab initio molecular dynamics have been performed for mixtures of ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (EMIM-TFSI) ionic liquid and water. Statistics of donors and acceptors of hydrogen bonds has revealed that wit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a3f7d6f06791755c7747f83dfdb96691
https://ruj.uj.edu.pl/xmlui/handle/item/306511
https://ruj.uj.edu.pl/xmlui/handle/item/306511
Publikováno v:
International Journal of Molecular Sciences; Volume 23; Issue 24; Pages: 15590
Using ethylene carbonate as a sample solvent, we investigated two molecular parameters used to estimate the reduction potential of the solvent: electron affinity, and the energy of the lowest unoccupied molecular orbital (LUMO). The results showed th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e9a4aa659a370a67957a7bedb678c008
https://ruj.uj.edu.pl/xmlui/handle/item/304700
https://ruj.uj.edu.pl/xmlui/handle/item/304700
Publikováno v:
The Journal of Physical Chemistry B. 124:413-421
Classical molecular dynamics simulations have been performed in polarizable and nonpolarizable force fields for series of electrolytes based on MeTFSI (Me = Li, Na) salts dissolved in EMIM-TFSI ionic liquid. Structure and dynamics of the solvation sh
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b1227fdb30e850a7297a60d630ae6617
https://doi.org/10.1021/acs.jpcb.9b10391
https://doi.org/10.1021/acs.jpcb.9b10391
Publikováno v:
The Journal of Physical Chemistry C. 123:14885-14894
Classical and ab initio molecular dynamics simulations have been performed for a series of electrolytes for Na-ion devices based on sodium bis(fluorosulfonyl)imide (NaFSI) solutions in 1-ethyl-3-me...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dc08025e1b1874b5c05916f5c534edc4
https://doi.org/10.1021/acs.jpcc.9b01208
https://doi.org/10.1021/acs.jpcc.9b01208
Autor:
Piotr Kubisiak, Andrzej Eilmes
Publikováno v:
The Journal of Physical Chemistry. B
Although the electrical conductivity of an electrolyte can be estimated from the molecular dynamics trajectory, it is often a challenging task because of the need to obtain a substantial amount of data to ensure sufficient averaging. Here, we present
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::686dea3c17069c91d0ab870fed2ab10d
https://ruj.uj.edu.pl/xmlui/handle/item/253318
https://ruj.uj.edu.pl/xmlui/handle/item/253318