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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Nov-2020	Co-O-OH2_TS1B-5_2	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-3986.09675476; Eh
	20-Nov-2020	bs1Co4-SK-O-OH2+H2O_TS2-10_11	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-7238.99736427; Eh
	20-Nov-2020	bs1Fe-O-OH2_TS1B1-5_5	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-3964.11737706; Eh
	20-Nov-2020	bs1Fe4-SK-O-OH2_TS1T-7_20	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-7075.51289733; Eh
	20-Nov-2020	bs1Fe4-SK-O-OH2_TS1B-7_20	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-7075.50721626; Eh
	20-Nov-2020	bs1Fe4-SK-O-OH2_TS2-7_20	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-7151.96746490; Eh
	20-Nov-2020	Fe4-SK-O-OH2_TS1B-7_20	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7076.15567806; Eh
	14-May-2018	/NbL-H TS_Htransfer_LH	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	-	-1901.95000706; Eh
	20-Nov-2020	Fe4-SK-O-OH2_TS1T-7_20	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7076.15647586; Eh
	10-Mar-2021	/SILVER/TS 33pin-Ag-TS	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-2934.48172686; Eh

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