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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/TS 1apin-Li-aduct	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-572.493555743; Eh
	2-Jul-2021	/U@C86 U@C2(14)-C86	Rosello, Yannick	ADF; 2019; 304	Geometry optimization	PBE0 == Not Default ==	TZP	-34.59187326; Eh
	10-Mar-2021	/LITHIUM 1cpin-Li	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-688.9972043; Eh
	21-Dec-2020	Lu_1_5	Wang, Fei	ADF; 2016	Geometry optimization	OPBE	TZP	-46.17942038; Eh
	14-Oct-2021	/STEP-A/TFE Bneop-OCH2CF3	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-823.964597315; Eh
	10-Mar-2021	/PALLADIUM 2a2pin-Pd	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-2405.42405438; Eh
	10-Mar-2021	/COPPER/TS 1apin-Cu-TS	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-2163.67877407; Eh
	10-Mar-2021	/COPPER 33dan-Cu	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3197.501138; Eh
	10-Mar-2021	/COPPER 1epin-Cu	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-2087.2669678; Eh
	10-Mar-2021	/LITHIUM/TS 33pin-Li-TS	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P)	-1393.67238370; Eh

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