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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Mar-2021	/SILVER/TS 2a2pin-Ag-TS	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-2523.87545251; Eh
	10-Mar-2021	/SILVER/TS 1apin-Ag-TS	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-2113.27363144; Eh
	20-Nov-2020	Fe4-SK-O-OH2_TS2-7_20	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7152.61042869; Eh
	31-Dec-2020	TS_MPS-Zr(OOH)-monomer	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	GEN	-2562.19978177; Eh
	31-Dec-2020	TS_MPS-Zr(OO)Zr-dimer	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-4303.10441391; Eh
	10-Mar-2021	/PALLADIUM/TS 2a2pin-Pd-TS	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1818.54923380; Eh
	28-Dec-2020	TS_Oa-transfer-CyH_dimer-Zr(OOH)(OH)Zr	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3944.43214264; Eh
	28-Dec-2020	TS_O-transfer-CyH_(TS-3C)	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2127.07482410; Eh
	28-Dec-2020	TS_Oa-transfer-carvone_1-2	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	GEN	-2357.14385883; Eh
	28-Dec-2020	TS_Ob-transfer-CyH_dimer_Zr(OOH)(OH)Zr	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-3944.43121695; Eh

Results 21-30 of 170 (Search time: 0.0 seconds).