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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/PC6H4Me3 NidppfPC6H4Me3_HATS_triplet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8804.338545; Eh
	30-May-2021	/benchmarking/M06_6_311+Gdp NiBrCH2CH2Phdppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-7650.562471; Eh
	30-May-2021	/benchmarking/wB97X_D_6_311+Gdp Nidppf2	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-311+G(D,P) GENECP	-8026.0897768; Eh
	30-May-2021	/benchmarking/wB97X_D_6_311+Gdp dppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-311+G(D,P) GENECP	-3258.8386869; Eh
	30-May-2021	/benchmarking/wB97X_D_6_311+Gdp COD	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RwB97XD	6-311+G(D,P) GENECP	-312.021771; Eh
	30-May-2021	/reaction_profiles/PC6H4Me3 PC6H4Me3	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-1153.8058749; Eh
	30-May-2021	/benchmarking/DLPNO-CCSDT-cc-pVTZ COD	Nelson, David	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; cc-pVTZ/C	-309.99804789; Eh
	30-May-2021	/benchmarking/MN15_6_311+Gdp NiCODdppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G(D,P) GENECP	-5078.0920538; Eh
	30-May-2021	/benchmarking/M11_L_6_311+Gdp COD	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G(D,P) GENECP	-312.052852; Eh
	30-May-2021	/benchmarking/MN15_6_311+Gdp COD	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G(D,P) GENECP	-311.7037077; Eh

Results 151-160 of 186 (Search time: 0.002 seconds).