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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 bralcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1636.80144472; Eh
	9-Nov-2018	/vacuum/metal_frag znnh3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-282.906326662; Eh
	8-May-2019	/FeN4-H2O FeN4-H2O-clean	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-665.81276881; eV
	30-Apr-2019	c2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-2498.2238377; Eh
	30-Jan-2019	/Solv_Opt/B97D3/Reactants/Cat Cat	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-1179.54434702; Eh
	30-Jan-2019	/Solv_Opt/B97D3/Int_1 Int_1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-1502.13538057; Eh
	30-Jan-2019	/Solv_Opt/B97D3/Reactants/Epoxyhexane Epoxyhexane	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-310.948395996; Eh
	9-Nov-2018	/vacuum/metal_frag PdHPH32b3lyp_new2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-814.612353256; Eh
	9-Nov-2018	/vacuum/metal_frag yh2o5b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-419.565208454; Eh
	30-Apr-2019	CuII_c1F	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-2958.4187809; Eh

Results 24921-24930 of 104445 (Search time: 0.017 seconds).