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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/metal_frag sin-incl2b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-922.0565403; Eh
	9-Nov-2018	/vacuum/complexes heconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-430.541951007; Eh
	9-Nov-2018	/vacuum/complexes heauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-481.584261887; Eh
	9-Nov-2018	/water/ligands aq-ch3-b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-39.9492032; Eh
	9-Nov-2018	/vacuum/complexes hecro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-315.558996738; Eh
	9-Nov-2018	/noDisp/metal_frag sin-rhh2o5b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-491.4705865; Eh
	9-Nov-2018	/noDisp/metal_frag sin-tame4_frompiram2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-216.3400085; Eh
	9-Nov-2018	/noDisp/metal_frag sin-nbnh24b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-280.7052428; Eh
	9-Nov-2018	/noDisp/complexes sin-xezrome3_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-407.939783; Eh
	9-Nov-2018	/noDisp/complexes sin-xerush4_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1705.6998948; Eh

Results 5611-5620 of 12842 (Search time: 0.005 seconds).