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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-halcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1623.9312393; Eh
	9-Nov-2018	/vacuum/complexes xeincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-937.618583106; Eh
	4-Jan-2022	/C-C_bond_formation/opt D_anti	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) LANL2DZ GENECP	-3100.23083852; Eh
	9-Nov-2018	/noDisp/complexes sin-h2ocunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-442.9315132; Eh
	9-Nov-2018	/noDisp/complexes sin-h2onbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-357.1545246; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1670.7790448; Eh
	9-Nov-2018	/noDisp/complexes sin-coptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-732.0536097; Eh
	9-Nov-2018	/noDisp/complexes sin-frhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-591.9770696; Eh
	9-Nov-2018	/noDisp/complexes sin-fnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-380.8329691; Eh
	9-Nov-2018	/noDisp/complexes sin-fcro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-412.6978798; Eh

Results 23631-23640 of 103928 (Search time: 0.014 seconds).