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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Mar-2020	/B3LYP_BS1_optimized_structures b3l_cluster	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) SDDALL GEN	-2433.96571676; Eh
	22-Mar-2020	/M06_BS1_optimized_structures m06_pha_prod1	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D,P) SDDALL GEN	-2741.27305231; Eh
	22-Mar-2020	/B97D3_BS1_optimized_structures ga_b97d3_proddmad	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB97D3	6-31G(D,P) SDDALL GEN	-2967.00183373; Eh
	22-Mar-2020	/wB97XD_BS1_optimized_structures w_cluster	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) SDDALL GEN	-2433.72103893; Eh
	22-Mar-2020	/B97D3_BS1_optimized_structures ga_b97d3_tsdmad	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RB97D3	6-31G(D,P) SDDALL GEN	-2966.97896887; Eh
	22-Mar-2020	/wB97XD_BS1_optimized_structures ga_W_dmadprodr	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) SDDALL GEN	-2966.65992399; Eh
	22-Mar-2020	/BP86-D3(BJ)_BS1_optimized_structures ff_cluster	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RBP86	6-31G(D,P) SDDALL GEN	-2434.69739859; 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
	22-Mar-2020	/PBE1PBE-D3(BJ)_BS1_optimized_structures ga_p0_dmadtsr	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2965.11856308; Eh
	22-Mar-2020	/PBE1PBE-D3(BJ)_BS1_optimized_structures ga_p0_dmad	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) GEN	-532.495048833; Eh

Results 61-70 of 129 (Search time: 0.001 seconds).