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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Aug-2021	111-Au-ac	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-534.81001932; eV
	19-Aug-2021	111-Pd-bulk	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-23.18509539; eV
	19-Aug-2021	111-Ru-bulk	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-19.48831878; eV
	26-Aug-2024	geom135_nox2_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1182.0137236; Eh
	26-Aug-2024	geom21_nox_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1087.8451353; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S29 S29	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1394.63890940; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/AgOAc AgOAc	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-374.204717711; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/III_Cl_Cpstar III_Cl_Cpstar_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1663.6482988; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S19 S19_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1712.8873866; Eh
	20-Feb-2024	/FASnX3/FASnCl3/Cubic PBEsol-SOC-HSE06	Echeverria, Carlos	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	N/A	DFT	-	-71.72893720; eV

Results 63451-63460 of 104471 (Search time: 0.041 seconds).