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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Dec-2020	TS_Oa-transfer-CyOct	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2205.71625126; Eh
	28-Dec-2020	TS_H2O2-activ_(TS-1w)	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-2045.33326034; Eh
	28-Dec-2020	TS_H2O2-activ_(TS-1)	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GEN	-1968.88351325; Eh
	14-Oct-2021	/STEP-A/TFE TSA-TFE	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P)	-1955.32141469; Eh
	28-Dec-2020	TS_H-transfer_(TS-H)	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	GEN	-1892.43130806; Eh
	10-Mar-2021	/COPPER/TS 33dan-Cu-TS	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3311.92866685; Eh
	10-Mar-2021	/PALLADIUM/TS 1apin-Pd-TS	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1407.96286464; 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	/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
	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

Results 31-40 of 149 (Search time: 0.001 seconds).