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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 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	/TPSSh_BS1_optimized_structures tpssh_pha_prod1	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RTPSSh	6-31G(D,P) SDDALL GEN	-2742.44963423; Eh
	22-Mar-2020	/B3LYP_BS1_optimized_structures ga_b3l_dmad	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-533.073636559; Eh
	22-Mar-2020	/M06L_BS1_optimized_structures m06l_pha_prod1	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06L	6-31G(D,P) SDDALL GEN	-2742.30222424; 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	/M06_BS1_optimized_structures ga_m06_dmadprodr	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D,P) SDDALL GEN	-2965.91065349; Eh
	22-Mar-2020	/M062X_BS1_optimized_structures m062_cluster	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-31G(D,P) SDDALL GEN	-2432.93926043; 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

Results 131-140 of 214 (Search time: 0.002 seconds).