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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-D3(BJ)_BS1_optimized_structures ff_pha_ts1x	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RBP86	6-31G(D,P) SDDALL GEN	-2743.12556467; Eh
	22-Mar-2020	/BP86-D3(BJ)_BS1_optimized_structures ff_pha	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RBP86	6-31G(D,P) GEN	-308.406630848; 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	/TPSSh_BS1_optimized_structures ga_tpssh_dmadprod	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RTPSSh	6-31G(D,P) SDDALL GEN	-2967.12668213; Eh
	22-Mar-2020	/TPSSh_BS1_optimized_structures ga_tpssh_dmadtsa	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RTPSSh	6-31G(D,P) SDDALL GEN	-2967.09930923; Eh
	22-Mar-2020	/M06L_BS1_optimized_structures ga_m06l_dmadprod	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06L	6-31G(D,P) SDDALL GEN	-2966.97467237; Eh
	22-Mar-2020	/M06L_BS1_optimized_structures ga_m06l_dmad	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06L	6-31G(D,P) GEN	-533.024376520; Eh
	22-Mar-2020	/M06HF_BS1_optimized_structures m06hf_pha_prod1	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06HF	6-31G(D,P) SDDALL GEN	-2741.18253956; Eh
	22-Mar-2020	/M06HF_BS1_optimized_structures hfga_m06_dmad	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06HF	6-31G(D,P) GEN	-532.881228045; Eh
	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

Results 81-90 of 129 (Search time: 0.002 seconds).