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 - Článek v odborném periodiku
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
Grant CEP: GA ČR(CZ) GJ15-10279Y; GA ČR(CZ) GA14-31419S
Institucionální podpora: RVO:61388963 ; RVO:61388955
Klíčová slova: density functional theory * redox potentials * computational electrochemistry
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 9.353, rok: 2016

Trvalý link: http://hdl.handle.net/11104/0258777