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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Aug-2018	MDsnap_dimer2_1040	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2220.75533468; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-2O Pt+2O_(29)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-only	Geometry optimization	DFT	-	-857.13362929; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-2O Pt+2O_(31)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-857.05794417; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-2O Pt+2O_(32)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-857.05643614; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-2O Pt+2O_(34)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-856.99315560; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-2O Pt+2O_(35)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-856.99315560; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-2O Pt+2O_(33)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-856.99315560; eV
	8-Mar-2018	_IPrNi(I)Cl(sty)_	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; wB97XD; UFF	6-311+G**	-1627.47520112; Eh
	8-Mar-2018	_IPrNi(I)Cl_	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; wB97XD; UFF	6-311+G**	-1317.83890690; Eh
	8-Mar-2018	c8	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; wB97XD; UFF	6-311+G**	-1875.08561351; Eh

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