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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/metal_frag aq-tame4_frompiram2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-216.5198015; Eh
	9-Nov-2018	/water//water complexes aq-bpincro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-566.9143371; Eh
	9-Nov-2018	/water/metal_frag aq-mosh3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1264.4814835; Eh
	9-Nov-2018	/water/metal_frag aq-wco5b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-633.9033511; Eh
	9-Nov-2018	/vacuum/complexes hepdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-473.995528314; Eh
	9-Nov-2018	/vacuum/complexes hepdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-817.523485131; Eh
	9-Nov-2018	/water/ligands aq-sih3-b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-291.3749712; Eh
	9-Nov-2018	/water/metal_frag aq-hgi2b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-176.5165019; Eh
	9-Nov-2018	/water/metal_frag aq-ircoph32b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-903.9492345; 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

Results 11481-11490 of 12354 (Search time: 0.009 seconds).