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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-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-fenilnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-512.5573921; 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-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-fZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2448.3809682; Eh
	13-Apr-2021	1O-doped-Ni(100)-3x3-CH2CH(CH3)2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-444.71245814; eV
	9-Nov-2018	/noDisp/complexes sin-h2omosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1340.8259747; 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-fcro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-412.6978798; Eh

Results 15741-15750 of 104515 (Search time: 0.011 seconds).