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

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SYSNO	0458510
Title	Accurate Prediction of One-Electron Reduction Potentials in Aqueous Solution by Variable-Temperature H-Atom Addition/Abstraction Methodology
Author(s)	Bím, Daniel (UOCHB-X) [640/64]_{ORCID, RID} Rulíšek, Lubomír (UOCHB-X) [640/64]_{RID, ORCID} Srnec, Martin (UFCH-W)_{RID, ORCID}
Corespondence/senior	Srnec, Martin - Korespondující autor
Source Title	Journal of Physical Chemistry Letters. Roč. 7, č. 1 (2016), s. 7-13. - : American Chemical Society
Document Type	Článek v odborném periodiku
Grant	GJ15-10279Y GA ČR - Czech Science Foundation (CSF), CZ - Czech Republic
	GA14-31419S GA ČR - Czech Science Foundation (CSF), CZ - Czech Republic
Institutional support	UOCHB-X - RVO:61388963 ; UFCH-W - RVO:61388955
Language	eng
Country	US
Keywords	density functional theory * redox potentials * computational electrochemistry
Permanent Link	http://hdl.handle.net/11104/0258777

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