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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Mar-2020	/BP86_BS1_optimized_structures gabN_bmodm_ts1_phA1_prodr	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G(D,P) SDDALL GEN	-2742.83938082; Eh
	22-Mar-2020	/BP86_BS1_optimized_structures gabN_bmodm_reacp8	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G(D,P) SDDALL GEN	-2434.44018455; Eh
	22-Mar-2020	/BP86_BS1_optimized_structures gaN_bmodm_PhA	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G(D,P) GEN	-308.384259636; Eh
	22-Mar-2020	/BP86_BS1_optimized_structures ga_N_dmad	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G(D,P) GEN	-533.080762858; Eh
	22-Mar-2020	/TPSS_BS1_optimized_structures tpss_cluster	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RTPSSTPSS	6-31G(D,P) SDDALL GEN	-2434.16292851; Eh
	22-Mar-2020	/TPSS_BS1_optimized_structures tpss_pha	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RTPSSTPSS	6-31G(D,P) GEN	-308.454759450; Eh
	22-Mar-2020	/TPSS_BS1_optimized_structures tpss_pha_prod1	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RTPSSTPSS	6-31G(D,P) SDDALL GEN	-2742.63122344; Eh
	22-Mar-2020	/TPSS_BS1_optimized_structures ga_tpss_dmadprod	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RTPSSTPSS	6-31G(D,P) SDDALL GEN	-2967.34048006; Eh
	22-Mar-2020	/TPSS_BS1_optimized_structures ga_tpss_dmad	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RTPSSTPSS	6-31G(D,P) GEN	-533.158624583; Eh
	22-Mar-2020	/TPSSh_BS1_optimized_structures tpssh_pha	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RTPSSh	6-31G(D,P) GEN	-308.422028987; Eh

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