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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	/vacuum/complexes xehgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	sdd	-192.007425646; Eh
	30-Sep-2021	/Water/TS_water ch3ph2-br-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-395.763049028; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-850.3456813; Eh
	9-Nov-2018	/noDisp/complexes sin-h2ofecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1120.5493793; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-710.6004995; Eh
	9-Nov-2018	/noDisp/complexes sin-ffeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-677.2469772; Eh
	9-Nov-2018	/noDisp/complexes sin-h2ooso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-391.8751908; Eh
	9-Nov-2018	/noDisp/complexes sin-frush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1790.1327342; Eh
	9-Nov-2018	/noDisp/complexes sin-h2oalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1699.6893053; Eh
	9-Nov-2018	/noDisp/complexes sin-copdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-927.9628939; Eh

Results 11761-11770 of 12354 (Search time: 0.008 seconds).