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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-ihgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-188.0374488; Eh
	9-Nov-2018	/noDisp/complexes sin-heaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1519.2706162; Eh
	9-Nov-2018	/noDisp/complexes sin-heincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-924.9647144; Eh
	9-Nov-2018	/noDisp/complexes sin-hehgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-179.3706003; Eh
	9-Nov-2018	/noDisp/complexes sin-hhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-177.1406033; Eh
	9-Nov-2018	/noDisp/complexes sin-heZrCl5_newfix3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2351.4116654; Eh
	9-Nov-2018	/noDisp/complexes sin-heZrCl5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2351.396824; Eh
	5-Nov-2018	_withPt_static_OH_OH2vedle	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-186.87525958; eV
	5-Nov-2018	_withPt_static_H_H1nad	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-172.21137075; eV
	5-Nov-2018	_F_j5	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-171.39313520; eV

Results 14881-14890 of 104583 (Search time: 0.011 seconds).