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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jan-2019	/Migratory_Insertion TS-3-4x(exo)	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2095.692944; Eh
	24-Jan-2019	/Migratory_Insertion 4x(exo)	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2095.7385754; Eh
	9-Nov-2018	/vacuum/complexes pcl3k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-1750.15031945; Eh
	15-Oct-2018	2_6-OPBE	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UOPBE	6-31+g(d)	-1361.82207693; Eh
	2-Aug-2018	MDsnap_trimer2_2820	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2224.54802702; eV
	22-Aug-2018	/ads_sn2_Co_Cu1 is	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-484.52535503; eV
	27-Mar-2018	PPh3	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	PBE	-	-222.65440578; eV
	19-Sep-2018	/2_electrons/1_H+/Mo2O2S8H B2	Bandeira, Nuno	ADF; 2017	Geometry optimization TS	DFT	TZ2P	-3.22156685; Eh
	22-Feb-2020	IX_sp_basisset	García, Cristina	Gaussian; 09	Single point Structure	RB3LYP	GENECP	-3061.2202819; Eh
	15-Oct-2018	3_2-OPBE	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UOPBE	6-31+g(d)	-1361.82385699; Eh

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