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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-May-2021	/benchmarking/B3LYP_D3BJ_6_311+Gdp NiCODdppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-5080.065996; Eh
	30-May-2021	/benchmarking/M06_6_311+Gdp Nidppf2_open	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-8024.5565888; Eh
	30-May-2021	/benchmarking/B3LYP_6_311+G2d2p NiCODdppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(2D,2P)	-5079.847964; Eh
	30-May-2021	/benchmarking/M06_6_311+Gdp NiCODdppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-5078.2884665; Eh
	30-May-2021	/benchmarking/B3LYP_6_311+G2d2p Nidppf2	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(2D,2P)	-8027.0505937; Eh
	30-May-2021	/benchmarking/B3LYP_6_311+G2d2p dppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(2D,2P) GENECP	-3259.3596515; Eh
	30-May-2021	/benchmarking/M06_6_311+Gdp Nidppf2	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-8024.5726442; Eh
	30-May-2021	/benchmarking/M06_6_311+Gdp PhCH2CH2Br	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-2884.1310384; Eh
	30-May-2021	/benchmarking/B3LYP_D3BJ_6_311+Gdp COD	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-312.1604942; Eh
	19-May-2020	TS5_1	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-311G(D,P)	-1776.01017940; Eh

Results 20931-20940 of 103542 (Search time: 0.013 seconds).