Full atomistic reaction mechanism with kinetics for CO reduction on Cu(100) from ab initio molecular dynamics free-energy calculations at 298 K

Autor:	Cheng, Tao, Xiao, Hai, Goddard, William A.
Zdroj:	Proceedings of the National Academy of Sciences of the United States of America, 2017 Feb . 114(8), 1795-1800.
Databáze:	JSTOR Journals
Externí odkaz:	https://www.jstor.org/stable/26479269 Zobrazit plný text záznamu