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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-May-2021	/reaction_profiles/FcPPh2 NidppfFcPPh22	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-9675.0990464; Eh
	30-May-2021	/reaction_profiles/FcPPh2 NidppfFcPPh2	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-7220.7515685; Eh
	7-Mar-2024	TSC2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1560.14276648; Eh
	5-May-2020	XPS-SY-red-Cu-2p-211	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1723.78110992; eV
	6-Aug-2020	/opt/intermediates/Co/CH3Cl hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-268.39051090; eV
	6-Aug-2020	/opt/intermediates/Co/CH3F bri	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-269.94618160; eV
	6-Aug-2020	/opt/intermediates/Co/CH3Cl top	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-268.57662506; eV
	30-May-2021	/reaction_profiles/PC6H4CF33 NiBrdppfPC6H4CF33+rad_triplet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-9697.5835175; Eh
	30-May-2021	/reaction_profiles/PPh3 NiBrdppfPPh3+rad_triplet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8686.4826613; Eh
	30-May-2021	/reaction_profiles/PMe3 PMe3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-461.0186095; Eh

Results 35001-35010 of 104583 (Search time: 0.021 seconds).