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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Apr-2023	/CO2-activation-3H2O PdMLPt(111)-(3x3)-CO2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-283.76753429; eV
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSS26_VII TSS26-VII_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1885.3511315; Eh
	9-Nov-2018	/noDisp/complexes sin-h2nbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-281.8740191; Eh
	9-Nov-2018	/noDisp/complexes sin-bpintame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-470.6359103; Eh
	9-Nov-2018	/noDisp/complexes sin-bpinznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-521.0589497; Eh
	9-Nov-2018	/noDisp/complexes sin-clniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-974.3962153; Eh
	9-Nov-2018	/noDisp/complexes sin-coniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-627.4473229; Eh
	9-Nov-2018	/noDisp/complexes sin-brfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1518.1946075; Eh
	9-Nov-2018	/noDisp/complexes sin-cnniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-607.0080161; Eh
	9-Nov-2018	/noDisp/complexes sin-h2fecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1045.2407688; Eh

Results 14621-14630 of 104583 (Search time: 0.011 seconds).