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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Mar-2020	/PBE1PBE_BS1_optimized_structures fp_cluster	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2432.47130400; Eh
	22-Mar-2020	/PBE1PBE_BS1_optimized_structures fp_pha_ts1	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2740.47677884; Eh
	22-Mar-2020	/PBE1PBE_BS1_optimized_structures fp_pha	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) GEN	-308.022007469; Eh
	22-Mar-2020	/PBE1PBE_BS1_optimized_structures fp_pha_prod1	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2740.51909278; Eh
	22-Mar-2020	/PBE1PBE_BS1_optimized_structures ga_p0_dmad	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) GEN	-532.484673540; Eh
	22-Mar-2020	/PBE1PBE_BS1_optimized_structures ga_p0_dmadtsa	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2964.95140791; Eh
	22-Mar-2020	/PBE1PBE-D3(BJ)_BS1_optimized_structures d3bjfp_cluster	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2432.60734997; Eh
	22-Mar-2020	/PBE1PBE_BS1_optimized_structures ga_p0_dmadprodr	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2964.98844211; Eh
	22-Mar-2020	/PBE1PBE-D3(BJ)_BS1_optimized_structures d3bjfp_pha	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) GEN	-308.034353092; Eh
	22-Mar-2020	/PBE1PBE-D3(BJ)_BS1_optimized_structures d3bjfp_pha_prod1	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2740.68877719; Eh

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