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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Mar-2021	/LITHIUM 1apin-Li	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-457.9980592; Eh
	10-Mar-2021	/ANIONIC 1apin	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	RwB97XD	6-31G(D,P)	-450.431158403; Eh
	21-Dec-2020	Gd_1_5	Wang, Fei	ADF; 2016	Geometry optimization	OPBE	TZP	-46.58764772; Eh
	21-Dec-2020	Lu_0	Wang, Fei	ADF; 2016	Geometry optimization	OPBE	TZP	-45.58543593; Eh
	28-Dec-2020	dimer_Zr-(OH)2-Zr	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3634.68429422; Eh
	14-Oct-2021	/STEP-A/TFE OCH2CF3	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-452.121681611; Eh
	10-Mar-2021	/COPPER/TS 33pin-Cu-TS	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-2984.88589946; Eh
	10-Mar-2021	/SUBSTRACT Ag-PPh3	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1548.15987401; Eh
	10-Mar-2021	/COPPER 2a2pin	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-2459.8275198; Eh
	10-Mar-2021	/LITHIUM 1bdan-Li	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-497.2989331; Eh

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