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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jun-2019	/RealCat TS2b2pin22	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-2368.31511282; Eh
	21-Jun-2019	/RealCat TS2b2nep2	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-2289.63823558; Eh
	21-Jun-2019	/RealCat cat_simple	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-857.786295162; Eh
	21-Jun-2019	/Pirrol React	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311G**	-363.930274508; Eh
	21-Jun-2019	/Pinacolato TS3CsB-O	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LanL2DZ; 6-311G**	-1446.73342512; Eh
	21-Jun-2019	/Pinacolato Product	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-815.200961797; Eh
	21-Jun-2019	/Pirrol Prev2	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1693.73348207; Eh
	30-May-2021	/benchmarking/B3LYP_D3_6_311+Gdp dppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-3259.3991942; Eh
	30-May-2021	/benchmarking/B3LYP_D3BJ_6_311+Gdp dppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-3259.4997062; Eh
	30-May-2021	/benchmarking/B3LYP_D3_6_311+G2d2p NiCODdppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(2D,2P)	-5080.0054174; Eh

Results 201-210 of 224 (Search time: 0.001 seconds).