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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	/noDisp/metal_frag sin-FeCO4b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-577.2927568; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3tame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-625.9000473; Eh
	9-Nov-2018	/noDisp/metal_frag sin-FeCO4b3lyp_test_singlet	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-577.2758407; Eh
	9-Nov-2018	/noDisp/metal_frag sin-wco5b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-633.8724447; Eh
	9-Nov-2018	/noDisp/complexes sin-tiofenoincl2_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1475.1205281; Eh
	9-Nov-2018	/noDisp/complexes sin-xesnme3_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-138.4006032; Eh
	9-Nov-2018	/water/ligands aq-fb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-99.9941265; Eh
	9-Nov-2018	/water/ligands aq-ib3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-11.6123629; Eh
	9-Nov-2018	/noDisp/metal_frag sin-PdHPH32b3lyp_new2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-814.6069134; Eh
	9-Nov-2018	/noDisp/metal_frag sin-fecl2b3lyp_sextet	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1044.0508655; Eh

Results 10961-10970 of 12354 (Search time: 0.008 seconds).