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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Mar-2020	/TPSS_BS1_optimized_structures ga_tpss_dmadts	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RTPSSTPSS	6-31G(D,P) SDDALL GEN	-2967.31784244; 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	/M06HF_BS1_optimized_structures m06hf_pha_ts1ar	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06HF	6-31G(D,P) SDDALL GEN	-2741.11788504; Eh
	22-Mar-2020	/M06HF_BS1_optimized_structures m06hf_cluster	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06HF	6-31G(D,P) SDDALL GEN	-2432.81097328; Eh
	22-Mar-2020	/M06HF_BS1_optimized_structures m06hf_pha	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06HF	6-31G(D,P) GEN	-308.313440849; 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_dmad	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-31G(D,P) GEN	-532.754837393; 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 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	/PBE1PBE-D3(BJ)_BS1_optimized_structures d3bjfp_cluster	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2432.60734997; Eh

Results 101-110 of 129 (Search time: 0.001 seconds).