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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Aug-2020	/opt/intermediates/Ag/I top	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-96.54398599; eV
	30-May-2021	/reaction_profiles/FcPPh2 NiBrdppfFcPPh2+rad_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-10104.8883258; Eh
	30-May-2021	/reaction_profiles/PC6H4CF33 NidppfPC6H4CF33BrR	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-9697.5981253; Eh
	30-May-2021	/reaction_profiles/PPh3 NidppfPPh32	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-6838.2918755; Eh
	30-May-2021	/reaction_profiles/FcPPh2 FcPPh2	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-2454.3240349; Eh
	9-Aug-2020	DFT-Small-system-catalyst	Fondevila, Adiran J. De Aguirre	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB97D	6-31+G GENECP*	-1708.16459222; Eh
	9-Aug-2020	DFT-Small-system-Full	Fondevila, Adiran J. De Aguirre	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB97D	6-31+G GENECP*	-2323.49509920; Eh
	9-Aug-2020	DFT-Small-system-surface	Fondevila, Adiran J. De Aguirre	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB97D	6-31+G GENECP*	-615.308266495; Eh
	6-Aug-2020	/opt/intermediates/Co/CF fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-258.84622765; eV
	6-Aug-2020	/opt/intermediates/Co/CCl top	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-255.99280526; eV

Results 34971-34980 of 104583 (Search time: 0.021 seconds).