Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Peter Ogrin"'
Autor:
Peter Ogrin, Tomaz Urbic
Publikováno v:
Physical Review E. 107
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::227968cef51f71bf717793187b7c8882
https://doi.org/10.1103/physreve.107.054801
https://doi.org/10.1103/physreve.107.054801
Autor:
Žiga Medoš, Belhssen Hleli, Zdeněk Tošner, Peter Ogrin, Tomaž Urbič, Ksenija Kogej, Marija Bešter-Rogač, Pavel Matějíček
Publikováno v:
The journal of physical chemistry. C, Nanomaterials and interfaces, vol. 126, no. 12, 2022.
The model of counterion-induced metallacarborane aggregation in water was verified on sodium bis(1,2-dicarbollide), one of the most studied examples of metallacarboranes. This case study introduces a novel approach in anionic boron cluster self-assem
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c1e9ccc50041db32dff6cb01a50326c7
https://doi.org/10.1021/acs.jpcc.2c00107
https://doi.org/10.1021/acs.jpcc.2c00107
Publikováno v:
Physical review. E. 106(3-1)
We have developed an analytical theory for a simple model of liquid water. We apply Wertheim's thermodynamic perturbation theory (TPT) and integral equation theory (IET) for associative liquids to the rose model, which is among the simplest models of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a50ca4cc829e24dc2bb5a2b87107672a
https://pubmed.ncbi.nlm.nih.gov/36266898
https://pubmed.ncbi.nlm.nih.gov/36266898
Publikováno v:
Physical chemistry chemical physics : PCCP. 22(13)
The kinetic isotope effect (KIE) is arguably the most established experimental observable reflecting nuclear quantum effects in enzymatic reactions. The role of nuclear quantum effects in enzymes is rather intriguing and has long been a source of pro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1142d5f6327491b1fdf128bc4ced6198
https://pubmed.ncbi.nlm.nih.gov/32191250
https://pubmed.ncbi.nlm.nih.gov/32191250
Autor:
Tomaz Urbic, Peter Ogrin
Publikováno v:
Journal of Molecular Liquids. 337:116453
We have studied the effect of rotational and translational degrees of freedom on solvation of nonpolar solutes. In this study a simple two-dimensional Mercedes-Benz (MB) water model was used. By separating temperature on rotational and translational
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7389ec72ea1a599254497f7f51e969ca
https://doi.org/10.1016/j.molliq.2021.116453
https://doi.org/10.1016/j.molliq.2021.116453
Autor:
Tomaz Urbic, Peter Ogrin
Publikováno v:
Journal of Molecular Liquids. 330:115671
We developed a fast theory for studying how the rotational temperature (and rotational degrees of freedom) affects the properties of a simple model of liquid water. Wertheim's Thermodynamic perturbation theory (TPT) for associative liquids was applie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::58f507aa0de9531c7eb3c9d7580e9ecc
https://doi.org/10.1016/j.molliq.2021.115671
https://doi.org/10.1016/j.molliq.2021.115671
Autor:
Tomaz Urbic, Peter Ogrin
Publikováno v:
Journal of Molecular Liquids. 327:114880
We developed an analytical theory for studying of rotational degrees of freedom of a simple model of liquid water. Wertheim's integral equation theory (IET) for associative liquids was applied to the Mercedes-Benz (MB) model, which is among the simpl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ab90ac65bb4bf91d610111a69bd1b805
https://doi.org/10.1016/j.molliq.2020.114880
https://doi.org/10.1016/j.molliq.2020.114880