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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-D3(0)_BS1_optimized_structures d3b0_PrAts	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2624.19075950; 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	/M06L_BS1_optimized_structures ga_m06l_dmadtsarr	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06L	6-31G(D,P) SDDALL GEN	-2966.95081031; 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 m06l_pha_ts1a	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06L	6-31G(D,P) SDDALL GEN	-2742.27443030; Eh
	22-Mar-2020	/M11_BS1_optimized_structures m11_pha_ts1A	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	-	6-31G(D,P) SDDALL GEN	-2740.98946247; Eh
	22-Mar-2020	/BP86-D3(BJ)_BS1_optimized_structures ff_pha_prod1	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RBP86	6-31G(D,P) SDDALL GEN	-2743.15622923; Eh
	22-Mar-2020	/BP86-D3(BJ)_BS1_optimized_structures ga_bp86db_dmad	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G(D,P) GEN	-533.099160663; Eh
	22-Mar-2020	/PBE1PBE-D3(0)_BS1_optimized_structures d3b0_dmadprod	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2965.10012834; Eh
	22-Mar-2020	/PBE1PBE-D3(0)_BS1_optimized_structures d3p0_dmad_tsalar	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2556.84307099; Eh

Results 31-40 of 129 (Search time: 0.001 seconds).