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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jul-2021	i221101+i121101-i342104+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-179.60636127; eV
	29-Jul-2021	i221102+i100101-i321105+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-164.47760556; eV
	29-Jul-2021	i221101+i100101-i321201+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-163.74313483; eV
	29-Jul-2021	i212102+i101101-i313102+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-174.37369294; eV
	27-Jul-2021	V05O14_2H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-6.05092500; Eh
	27-Jul-2021	V04O13_2H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-5.83822736; Eh
	27-Jul-2021	V04O13_1H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-5.82481717; Eh
	27-Jul-2021	V04O13_0H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-5.75773041; Eh
	19-Jan-2022	/benchmark-CO-adsorption 2O-doped-Ni(100)-3x3-revPBE-CO-bridge	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-368.15198431; eV
	19-Jan-2022	/benchmark-CO-adsorption 2O-doped-Ni(100)-3x3-revPBE-CO-top	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-368.29377703; eV

Results 57691-57700 of 104126 (Search time: 0.035 seconds).