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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-nchircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-997.4134946; Eh
	8-Nov-2018	/water/complexes aq-nchfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-670.7602509; Eh
	8-Nov-2018	/water/complexes aq-ncsmosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1755.7561628; Eh
	8-Nov-2018	/water/complexes aq-ncsauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-970.0462208; Eh
	8-Nov-2018	/water/complexes aq-ncsniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1005.323778; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/1j 1j_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-436.7298145; Eh
	8-Nov-2018	/water/complexes aq-ncsalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-2114.5260038; Eh
	13-Apr-2023	/hydride-formation-HC PdMLPt(111)-(3x3)-H-100-ML-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-130.52757027; eV
	8-Nov-2018	/water/complexes aq-nchtame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-309.9598379; Eh
	8-Nov-2018	/water/complexes aq-nchZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2442.0370585; Eh

Results 15361-15370 of 103542 (Search time: 0.01 seconds).