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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
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	/wB97XD_BS1_optimized_structures w_pha_ts1	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RwB97XD	6-31G(D,P) SDDALL GEN	-2741.99155410; Eh
22-Mar-2020	/wB97XD_BS1_optimized_structures w_pha	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-308.282997251; 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	/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

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