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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2017	Ru-5-03	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-355.57741308; eV
	16-Jul-2018	/Ru-PMe-OAc-Cl 4m	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	sdd; 6-31+g*	-1667.86210072; Eh
	16-Jul-2018	/Ru-PMe-OAc-Cl 5m	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	sdd; 6-31+g*	-1666.62642309; Eh
	16-Jul-2018	/Ru-PMe-OAc-Cl 3m	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	sdd; 6-31+g*	-1359.49756405; Eh
	22-Feb-2020	TSXIX_XX_sp_basisset	García, Cristina	Gaussian; 09	Single point Structure	RB3LYP	GENECP	-2982.3045546; Eh
	5-Nov-2018	_H1_h	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-164.46215850; eV
	24-Jul-2020	H2Mo5O17	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
	22-Aug-2018	/ads_sn2_Co_Cu3 sn2	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-672.14012102; eV
	22-Aug-2018	/ads_sn2_Co_Cu3 slab	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-623.08327378; eV
	26-Mar-2018	A6	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complex	Frequencies	PBE	-	-633.56975145; eV

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