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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(28,33)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-856.25761323; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-3O Pt+3O_(35)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complex	Geometry optimization	DFT	-	-855.87506076; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-3O Pt+3O_(33)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complex	Geometry optimization	DFT	-	-856.04014312; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-3O Pt+3O_(32)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complex	Geometry optimization	DFT	-	-855.77449235; eV
	27-Feb-2018	K-Br-spiroC5-0THF-TS2	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2706.14211877; Eh
	27-Feb-2018	K-Br-C5-0THF-TS2	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2474.89223764; Eh
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(29,36)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-856.19353230; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(30,33)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-855.78991838; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(30,32)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-855.58556356; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(29,30)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-856.15681442; eV

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