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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 omefecl3bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1619.93555932; Eh
	9-Nov-2018	/vacuum/complexes pcl3ptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2184.59906024; Eh
	9-Nov-2018	/vacuum/complexes pme3aucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1977.58121489; Eh
	9-Nov-2018	/vacuum/complexes omeyh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-535.297921999; Eh
	9-Nov-2018	/vacuum/complexes pf3aucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-2157.39282663; Eh
	9-Nov-2018	/vacuum/complexes pcl3zncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-3330.01574503; Eh
	3-Oct-2019	water_sp2_ts_pdpme32_c_transnoulliu_fromDMF_calcfc2	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) SDD	-3853.28401292; Eh
	9-Nov-2018	/vacuum/complexes sih3-rhh2o5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-783.471874829; Eh
	9-Nov-2018	/vacuum/complexes xefecl3bai_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+g; sdd*	-1520.19212214; Eh
	9-Nov-2018	/noDisp/ligands sin-h2ob3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-76.4212204; Eh

Results 5961-5970 of 12842 (Search time: 0.007 seconds).