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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	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(0)_BS1_optimized_structures d3b0_dmadprod	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2965.10012834; Eh

Results 261-270 of 347 (Search time: 0.001 seconds).