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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/water/ligands aq-xeb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-15.5393067; Eh
	9-Nov-2018	/water//water complexes aq-bpinircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1158.1411077; Eh
	9-Nov-2018	/water//water complexes aq-bpintame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-470.6696384; Eh
	9-Nov-2018	/water//water complexes aq-bpinpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-725.2359454; Eh
	9-Nov-2018	/water//water complexes aq-brpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-484.6934625; Eh
	9-Nov-2018	/water//water complexes aq-brmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-343.3544509; Eh
	9-Nov-2018	/vacuum/complexes heZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2351.42364356; Eh
	9-Nov-2018	/vacuum/complexes imidazolalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g*	-1849.52878386; Eh
	9-Nov-2018	/vacuum/complexes heznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-269.662518643; Eh
	9-Nov-2018	/water//water complexes aq-bpinfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-831.4895018; Eh

Results 4691-4700 of 12842 (Search time: 0.005 seconds).