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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	/water/ligands aq-shb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-398.9308012; Eh
	9-Nov-2018	/water/metal_frag aq-cunh33b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-366.7990246; Eh
	9-Nov-2018	/water/metal_frag aq-auph3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-478.7803872; Eh
	9-Nov-2018	/water/ligands aq-nhcb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-226.1957144; Eh
	9-Nov-2018	/water/ligands aq-pcl3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1721.9965529; Eh
	9-Nov-2018	/water/ligands aq-ph3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-343.1413343; Eh
	9-Nov-2018	/water/ligands aq-nh3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-56.5626101; Eh
	9-Nov-2018	/water/ligands aq-ohb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-75.9281389; Eh
	9-Nov-2018	/water/ligands aq-ob3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-75.3501109; Eh
	9-Nov-2018	/water/ligands aq-sb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-398.4238962; Eh

Results 14521-14530 of 104583 (Search time: 0.011 seconds).