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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/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 heptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-621.588293642; 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//water complexes aq-bpinfecl3-bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1759.0048986; Eh
	9-Nov-2018	/water/metal_frag aq-rhh2o5b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-492.1801469; Eh
	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-bpinniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-768.205339; Eh
	9-Nov-2018	/water/metal_frag aq-snme3b3lyp_noNe	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-122.9494048; 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

Results 14491-14500 of 104583 (Search time: 0.01 seconds).