Accurate Prediction of One-Electron Reduction Potentials in Aqueous Solution by Variable-Temperature H-Atom Addition/Abstraction Methodology

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/11104/0258777