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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Mar-2020	/M06HF_BS1_optimized_structures m06hf_pha_prod1	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06HF	6-31G(D,P) SDDALL GEN	-2741.18253956; Eh
	22-Mar-2020	/M06HF_BS1_optimized_structures hfga_m06_dmad	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06HF	6-31G(D,P) GEN	-532.881228045; Eh
	22-Mar-2020	/M06HF_BS1_optimized_structures hfga_m06_dmadprodrf	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RM06HF	6-31G(D,P) SDDALL GEN	-2965.76681385; Eh
	22-Mar-2020	/M06HF_BS1_optimized_structures hfga_m06_dmadts	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06HF	6-31G(D,P) SDDALL GEN	-2965.70186498; Eh
	22-Mar-2020	/M11_BS1_optimized_structures m11_pha_ts1A	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	-	6-31G(D,P) SDDALL GEN	-2740.98946247; Eh
	22-Mar-2020	/M11_BS1_optimized_structures m11_cluster	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	-	6-31G(D,P) SDDALL GEN	-2432.82260497; Eh
	22-Mar-2020	/M11_BS1_optimized_structures m11_pha	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	-	6-31G(D,P) GEN	-308.182082494; Eh
	22-Mar-2020	/M11_BS1_optimized_structures m11_pha_prod1	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	-	6-31G(D,P) SDDALL GEN	-2741.04254326; Eh
	22-Mar-2020	/M11_BS1_optimized_structures ga_m11_dmad	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	-	6-31G(D,P) GEN	-532.811008631; Eh
	22-Mar-2020	/M11_BS1_optimized_structures ga_m11_dmadprodr	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	-	6-31G(D,P) SDDALL GEN	-2965.68531764; Eh

Results 51-60 of 129 (Search time: 0.001 seconds).