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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_adc	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RPBE1PBE	6-31G(D,P) GEN	-453.979417252; 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_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	/BP86_BS1_optimized_structures gaN_bmodm_PhA	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G(D,P) GEN	-308.384259636; Eh
	22-Mar-2020	/TPSSh_BS1_optimized_structures tpssh_cluster	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RTPSSh	6-31G(D,P) SDDALL GEN	-2434.01233749; 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
	22-Mar-2020	/M06_BS1_optimized_structures m06_pha_prod1	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D,P) SDDALL GEN	-2741.27305231; Eh
	22-Mar-2020	/M06_BS1_optimized_structures ga_m06_dmad	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D,P) GEN	-532.773931951; Eh
	22-Mar-2020	/B97D3_BS1_optimized_structures b97d3_pha	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB97D3	6-31G(D,P) GEN	-308.186195910; Eh
	22-Mar-2020	/wB97XD_BS1_optimized_structures w_pha	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-308.282997251; Eh

Results 181-190 of 214 (Search time: 0.001 seconds).