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- 1.0568172 - ÚOCHB 2024 RIV US eng J - Journal Article
Tomaník, L. - Rulíšek, Lubomír - Slavíček, P.
Redox Potentials with COSMO-RS: Systematic Benchmarking with Different Databases.
Journal of Chemical Theory and Computation. Roč. 19, č. 3 (2023), s. 1014-1022. ISSN 1549-9618. E-ISSN 1549-9626
Institutional support: RVO:61388963
Keywords : solvation free energies * computational electrochemistry * reduction potentials
OECD category: Physical chemistry
Impact factor: 5.5, year: 2022
Method of publishing: Limited access
https://doi.org/10.1021/acs.jctc.2c00919
Permanent Link: https://hdl.handle.net/11104/0339508 - 2.0458510 - ÚOCHB 2017 RIV US eng J - Journal Article
Bím, Daniel - Rulíšek, Lubomír - Srnec, Martin
Accurate Prediction of One-Electron Reduction Potentials in Aqueous Solution by Variable-Temperature H-Atom Addition/Abstraction Methodology.
Journal of Physical Chemistry Letters. Roč. 7, č. 1 (2016), s. 7-13. ISSN 1948-7185
R&D Projects: GA ČR(CZ) GJ15-10279Y; GA ČR(CZ) GA14-31419S
Institutional support: RVO:61388963 ; RVO:61388955
Keywords : density functional theory * redox potentials * computational electrochemistry
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 9.353, year: 2016
Permanent Link: http://hdl.handle.net/11104/0258777File Download Size Commentary Version Access 0458510.pdf 8 1.5 MB Publisher’s postprint require - 3.0457066 - ÚOCHB 2016 CZ eng A - Abstract
Srnec, Martin - Kývala, Mojmír - Bím, Daniel - Ryde, U. - Rulíšek, Lubomír
Computational electrochemistry: From small molecules to metalloproteins.
Modeling Interactions in Biomolecules 7th. Praha: MATFYZPRESS, 2015 - (Burda, J.). s. 71. ISBN 978-80-7378-303-7.
[Modeling Interactions in Biomolecules /7./. 14.09.2015-18.09.2015, Praha]
R&D Projects: GA ČR(CZ) GA14-31419S; GA ČR(CZ) GJ15-10279Y
Institutional support: RVO:61388963 ; RVO:61388955
Keywords : computational electrochemistry * metalloprotein structure * physico-chemical properties
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0257510