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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 tiofenoyh2o5_newfix2freq	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-972.659836838; Eh
	9-Nov-2018	/vacuum/complexes h2szncl3_newfix2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-2007.40013869; Eh
	9-Nov-2018	/vacuum/complexes heZrCl5_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-2351.40577973; Eh
	9-Nov-2018	/vacuum/complexes ofenofecl3bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1734.71041974; Eh
	9-Nov-2018	/vacuum/complexes ofenofecl3-bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1734.84424786; Eh
	9-Nov-2018	/vacuum/complexes syh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-818.651237236; Eh
	9-Nov-2018	/vacuum/complexes shgacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1781.76007273; Eh
	9-Nov-2018	/vacuum/complexes shsnme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-521.946520006; Eh
	9-Nov-2018	/vacuum/complexes sincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1320.71303238; Eh
	3-Oct-2019	water_sp2_ts_pdpme32_c_transnoulliu_fromDMF_calcall4	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) SDD	-3853.28396759; Eh

Results 4511-4520 of 12842 (Search time: 0.005 seconds).