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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/water//water complexes aq-h2omosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1340.9391494; Eh
	9-Nov-2018	/water//water complexes aq-h2wco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-635.0901925; Eh
	9-Nov-2018	/water//water complexes aq-h2oznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-343.3743469; Eh
	22-Aug-2018	/ads_sn2_Cu111 sn2	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-272.78233559; eV
	22-Aug-2018	/ads_sn2_Cu111 oh	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-234.50231155; eV
	22-Aug-2018	/ads_sn2_Cu111 slab	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-223.83892255; eV
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S12 S12_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-984.1417227; Eh
	9-Nov-2018	/noDisp/complexes sin-nhcfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1731.0108901; Eh
	12-Apr-2021	/UO2(O2)3 Na-Cs	Bo, Carles	ADF; 2010; 01	Geometry optimization	BP86	TZP; DZP	-1483.81058310; eV
	9-Nov-2018	/noDisp/complexes sin-ncsfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1995.8538895; Eh

Results 13931-13940 of 104583 (Search time: 0.011 seconds).