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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(BJ)_BS1_optimized_structures d3bjfp_pha_ts1	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2740.64567556; Eh
	22-Mar-2020	/PBE1PBE-D3(BJ)_BS1_optimized_structures d3bjfp_pha	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) GEN	-308.034353092; Eh
	22-Mar-2020	/PBE1PBE-D3(0)_BS1_optimized_structures d3p0_pha_prodbi	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2332.40460024; Eh
	22-Mar-2020	/BP86_BS1_optimized_structures gabN_bmodm_ts1_phA1_prodr	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G(D,P) SDDALL GEN	-2742.83938082; Eh
	22-Mar-2020	/BP86_BS1_optimized_structures gabN_bmodm_ts1_phA1	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RBP86	6-31G(D,P) SDDALL GEN	-2742.81108493; Eh
	22-Mar-2020	/BP86_BS1_optimized_structures gabN_bmodm_reacp8	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G(D,P) SDDALL GEN	-2434.44018455; Eh
	22-Mar-2020	/B3LYP_BS1_optimized_structures ga_b3l_dmadprod	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) SDDALL GEN	-2967.05169175; Eh
	22-Mar-2020	/B3LYP_BS1_optimized_structures ga_b3l_dmadtsa	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G(D,P) SDDALL GEN	-2967.02551553; Eh
	22-Mar-2020	/M06L_BS1_optimized_structures m06l_cluster	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06L	6-31G(D,P) SDDALL GEN	-2433.92229604; Eh
	22-Mar-2020	/M06L_BS1_optimized_structures m06l_pha	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06L	6-31G(D,P) GEN	-308.356877978; Eh

Results 111-120 of 129 (Search time: 0.001 seconds).