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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes ssnme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-521.400027162; Eh
	9-Nov-2018	/noDisp/ligands sin-ch3-b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-39.8406581; Eh
	9-Nov-2018	/noDisp/ligands sin-h2b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1.1754824; Eh
	9-Nov-2018	/vacuum/complexes shptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-861.450048142; Eh
	9-Nov-2018	/noDisp/ligands sin-ohb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-75.7953697; Eh
	9-Nov-2018	/vacuum/complexes tiofenofecl2sextup_newfix2freq	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+g; sdd*	-1597.13768679; Eh
	9-Nov-2018	/vacuum/complexes xecrh2o5trip_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+g; sdd*	-484.182284328; Eh
	9-Nov-2018	/vacuum/complexes orhh2o5_new2_fix2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-567.694632686; Eh
	9-Nov-2018	/vacuum/complexes tiofenozncl3_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-2161.02219881; Eh
	9-Nov-2018	/vacuum/complexes ofenoznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-513.082288312; Eh

Results 10781-10790 of 12354 (Search time: 0.008 seconds).