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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/complexes sin-tiofenofecl3-bai_newfix3freq	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-2057.8036041; Eh
	9-Nov-2018	/vacuum/complexes hefeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-580.188656807; Eh
	9-Nov-2018	/vacuum/complexes hefecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1046.96262702; Eh
	9-Nov-2018	/water/ligands aq-h2ob3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-76.4298954; Eh
	9-Nov-2018	/water/ligands aq-clb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-460.3814203; 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	/vacuum/complexes h2sZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2747.91148298; 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

Results 10971-10980 of 12354 (Search time: 0.008 seconds).