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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2018	/water/complexes aq-hetame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-219.4203982; Eh
	8-Nov-2018	/water/complexes aq-hrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-493.0420189; Eh
	8-Nov-2018	/water/complexes aq-hptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-619.6016589; Eh
	8-Nov-2018	/water/complexes aq-heticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1441.8329035; Eh
	8-Nov-2018	/water/complexes aq-icro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-324.3598477; Eh
	1-Oct-2019	/TS/GenGeoms AlRot	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-183.65573730; eV
	13-Apr-2023	/hydride-formation-HC PdMLPt(111)-(3x3)-K-H-100-ML-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-201.08575760; eV
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S24 S24_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1511.0295938; Eh
	8-Nov-2018	/water/complexes aq-heZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2351.5067782; Eh
	8-Nov-2018	/water/complexes aq-hpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-815.4418744; Eh

Results 13661-13670 of 104583 (Search time: 0.011 seconds).