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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	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-5920.2289598; Eh
	30-May-2021	/benchmarking/M06_6_311+Gdp NiBrHdppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-7341.0558337; Eh
	30-May-2021	/benchmarking/MN15_6_311+Gdp Nidppf2	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G(D,P) GENECP	-8024.0821745; Eh
	30-May-2021	/benchmarking/M06_6_311+Gdp NiBrHdppfstyrene_isomer	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-7650.5434278; Eh
	30-May-2021	/benchmarking/M06_6_311+Gdp styrene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-309.4773324; Eh
	30-May-2021	/benchmarking/DLPNO-CCSDT-cc-pVTZ Nidppf2	Nelson, David	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; cc-pVTZ/C	-8002.78970376; Eh
	30-May-2021	/reaction_profiles/PC6H4Me3 NiBrdppfPC6H4Me3+rad_triplet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-8804.3687382; 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/MN15_6_311+Gdp dppf	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G(D,P) GENECP	-3257.6762854; Eh
	30-May-2021	/benchmarking/M06_6_311+Gdp NiBrdppf2+rad_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-10908.6930663; Eh

Results 3961-3970 of 12842 (Search time: 0.005 seconds).