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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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	4b	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1372.31823278; Eh
	18-Mar-2022	adduct_3-HTEOA	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1890.26200906; Eh
	18-Mar-2022	TS5a-5b	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1372.39662855; 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	TEOA_cat	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	GEN	-517.145248760; Eh
	18-Mar-2022	adduct_HCOO-TEOA	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-707.171825027; Eh
	18-Mar-2022	adduct_CO2-TEOA	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-706.451442034; Eh
	18-Mar-2022	TS3-4a	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1890.23473587; Eh
	18-Mar-2022	PW12-2e	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Structure	UwB97XD	GEN	-4166.87664205; Eh

Results 11-20 of 32 (Search time: 0.001 seconds).