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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Mar-2022	TEOA_cat-rad	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	GEN	-517.714884767; Eh
	18-Mar-2022	TEOA-rad	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	GEN	-517.257042393; Eh
	18-Mar-2022	TS-CO2RR-TEOAassisted	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Single point TS	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-2078.87856190; Eh
	18-Mar-2022	5b	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1372.44365062; Eh
	18-Mar-2022	PW12-2e	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Structure	UwB97XD	GEN	-4166.87664205; Eh
	18-Mar-2022	PW12-1e	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UwB97XD	GEN	-4166.75946829; Eh
	18-Mar-2022	2prima	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1371.70834251; Eh
	18-Mar-2022	TS-CO2RR-unassisted	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1560.93578331; Eh
	18-Mar-2022	TS-HER	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1890.82229266; Eh
	18-Mar-2022	5a	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1372.43007707; Eh

Results 1-10 of 27 (Search time: 0.002 seconds).