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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_adcprod	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) SDDALL GEN	-2886.58680097; Eh
	22-Mar-2020	/PBE1PBE-D3(0)_BS1_optimized_structures d3b0_pra	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) GEN	-191.630772708; 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	/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	/M06_BS1_optimized_structures m06_cluster	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D,P) SDDALL GEN	-2433.10343331; Eh
	22-Mar-2020	/M06_BS1_optimized_structures m06_pha	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D,P) GEN	-308.144672628; Eh
	22-Mar-2020	/M062X_BS1_optimized_structures m062_pha_prod1f	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RM062X	6-31G(D,P) SDDALL GEN	-2741.22989676; Eh
	22-Mar-2020	/M062X_BS1_optimized_structures ga_m062x_dmad	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-31G(D,P) GEN	-532.859368161; Eh
	22-Mar-2020	/M11_BS1_optimized_structures m11_cluster	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	-	6-31G(D,P) SDDALL GEN	-2432.82260497; Eh
	22-Mar-2020	/M11_BS1_optimized_structures m11_pha	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	-	6-31G(D,P) GEN	-308.182082494; Eh

Results 71-80 of 129 (Search time: 0.001 seconds).