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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jul-2021	i221103+i101101-i322201+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-170.65583180; eV
	29-Jul-2021	i221103+i100101-i321106+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-162.74652247; eV
	29-Jul-2021	i221103+i110101-i331107+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-166.14816471; eV
	2-Mar-2021	/Tungsten/W5O16_1H W5O16_1H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-6.84447842; Eh
	2-Mar-2021	/Tungsten/W5O17_0H W5O17_0H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-7.44794760; Eh
	5-May-2020	6L-red-CO-site-12	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-1843.81395367; eV
	29-Jul-2021	i221102+i131102-i35210d+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-182.46928447; eV
	29-Jul-2021	i221103+i121102-i34220a+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-177.86578828; eV
	29-Jul-2021	i221102+i121102-i342208+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-178.78213727; eV
	29-Jul-2021	i221102+i131102-i352204+i000000	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-182.21498684; eV

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