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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Mar-2020	/PBE1PBE_BS1_optimized_structures ga_p0_dmad	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) GEN	-532.484673540; Eh
	22-Mar-2020	/PBE1PBE-D3(0)_BS1_optimized_structures d3b0_pha_prod1r	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2740.62724918; Eh
	22-Mar-2020	/PBE1PBE-D3(0)_BS1_optimized_structures d3b0_pha_ts1r	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2740.58616168; Eh
	22-Mar-2020	/PBE1PBE-D3(0)_BS1_optimized_structures d3b0_pha	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) GEN	-308.026361387; Eh
	22-Mar-2020	/BP86_BS1_optimized_structures ga_bN_bmodm_prod_dmad_r_scbidi_testallafa	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RBP86	6-31G(D,P) SDDALL GEN	-2967.51741705; 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 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

Results 241-250 of 347 (Search time: 0.001 seconds).