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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	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06HF	6-31G(D,P) GEN	-308.313440849; Eh
	22-Mar-2020	/B97D3_BS1_optimized_structures b97d3_cluster	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB97D3	6-31G(D,P) SDDALL GEN	-2434.20214916; 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
	22-Mar-2020	/M11_BS1_optimized_structures ga_m11_dmadtsa	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	-	6-31G(D,P) SDDALL GEN	-2965.63572769; Eh
	22-Mar-2020	/wB97XD_BS1_optimized_structures w_pha_prod1	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) SDDALL GEN	-2742.03636715; Eh
	22-Mar-2020	/wB97XD_BS1_optimized_structures ga_W_dmadtsa	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) SDDALL GEN	-2966.62128452; Eh
	22-Mar-2020	/wB97XD_BS1_optimized_structures ga_W_dmad	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-532.897902258; Eh
	22-Mar-2020	/BP86-D3(BJ)_BS1_optimized_structures ga_bp86db_dmadprodr	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) SDDALL GEN	-2967.36176059; Eh
	22-Mar-2020	/B3LYP-D3(BJ)_BS1_optimized_structures b3l_cluster	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) SDDALL GEN	-2434.21765482; Eh
	22-Mar-2020	/B3LYP-D3(BJ)_BS1_optimized_structures b3l_pha	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-308.421122835; Eh

Results 61-70 of 129 (Search time: 0.002 seconds).