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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/3a_TES 3a_TES	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-1078.59447431; Eh
	11-Feb-2019	hyd_trimer_7	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2005.47629215; eV
	2-Aug-2018	MDsnap_trimer3_3120	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2224.04849070; eV
	2-Aug-2018	MDsnap_trimer2_3080	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.41891508; eV
	19-Mar-2026	/AsMo As01Mo00O04-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.56171366; Eh
	19-Mar-2026	/VW V00W02O07-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.03018439; Eh
	6-May-2019	DI-3Pd-i23	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1132.98907223; eV
	6-May-2019	DI-3Pd-i27	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1124.94713015; eV
	6-May-2019	DI-3Pd-i16	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1101.69808604; eV
	26-Nov-2021	/Circular_Dichroism CD_Center_of_Cluster_3_(S)	Villar-Yanez, Alba	ADF; 2019	Single point	SAOP	TZP	-

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