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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
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	/B97D3_BS1_optimized_structures b97d3_pha	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB97D3	6-31G(D,P) GEN	-308.186195910; Eh
22-Mar-2020	/B97D3_BS1_optimized_structures b97d3_pha_ts1ai19r	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RB97D3	6-31G(D,P) SDDALL GEN	-2742.39912269; Eh
22-Mar-2020	/B97D3_BS1_optimized_structures b97d3_pha_prod1	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB97D3	6-31G(D,P) SDDALL GEN	-2742.42558918; 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	/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	/B97D3_BS1_optimized_structures ga_b97d3_dmad	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-31G(D,P) GEN	-532.754837393; Eh

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