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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-h2k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-29.3114046; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-745.7646941; Eh
	9-Nov-2018	/noDisp/complexes sin-fniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-614.0118941; Eh
	9-Nov-2018	/noDisp/complexes sin-clfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1965.0019186; Eh
	6-Aug-2020	/freq/interactions/Ni Cl_1	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-201.06749806; eV
	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-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

Results 23151-23160 of 103529 (Search time: 0.015 seconds).