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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_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_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	/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
	22-Mar-2020	/B3LYP_BS1_optimized_structures b3l_pha_ts1x	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D,P) SDDALL GEN	-2742.33476792; Eh
	22-Mar-2020	/B3LYP_BS1_optimized_structures b3l_cluster	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) SDDALL GEN	-2433.96571676; Eh
	22-Mar-2020	/B3LYP_BS1_optimized_structures b3l_pha	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-308.396601274; Eh
	22-Mar-2020	/M06_BS1_optimized_structures m06_pha_ts1a	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31G(D,P) SDDALL GEN	-2741.23843178; Eh
	22-Mar-2020	/M062X_BS1_optimized_structures ga_m062x_dmadprod	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-31G(D,P) SDDALL GEN	-2965.84133836; 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

Results 51-60 of 129 (Search time: 0.001 seconds).