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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-ncsincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1413.460591; Eh
	9-Nov-2018	/noDisp/complexes sin-nchaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1609.8272354; Eh
	9-Nov-2018	/noDisp/complexes sin-nchhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-269.8929583; Eh
	9-Nov-2018	/noDisp/complexes sin-ohaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1592.3469294; Eh
	9-Nov-2018	/noDisp/complexes sin-oaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1591.6294032; Eh
	9-Nov-2018	/noDisp/complexes sin-iincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-933.8548321; Eh
	9-Nov-2018	/vacuum/complexes h2snbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-680.112669407; Eh
	9-Nov-2018	/noDisp/complexes sin-haucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1517.1366732; 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	_withoutyPt_static_F_F2vedle	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-171.46204867; eV

Results 23411-23420 of 103928 (Search time: 0.013 seconds).