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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-May-2024	/Water H5O2	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.02730693; Eh
	13-May-2024	/Water H3O	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-0.47247479; Eh
	10-Jul-2023	c2h2-PtCl2-epo2-on-Pt	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2049.06590181; eV
	10-Jul-2023	c2h2-PtCl2-keto2-on-Pt	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-2008.01569033; eV
	15-May-2024	Pt_keto4	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1955.25556403; eV
	10-Jul-2023	Pt-edge-cooh	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2377.67624201; eV
	10-Jul-2023	Pt-edge-co	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2357.67859971; eV
	10-Jul-2023	Pt-keto4	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1955.25556403; eV
	9-Sep-2024	/Ni/111/adsorption/slab wrong_vdw	Seemakurthi, Ranga Rohit	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-254.01272913; eV
	27-Jul-2024	/Ni_110/TS TS_CHO+H__CHOH	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-459.04290798; eV

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