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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	30-May-2021	/benchmarking/B3LYP_D3BJ_6_311+Gdp Nidppf2	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-8027.4468956; Eh
	7-Jul-2020	TS6t	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31G SDD GENECP*	-10894.1303108; Eh
	7-Jul-2020	TS7s	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G SDD GENECP*	-10894.2308521; Eh
	7-Jul-2020	R2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G GENECP*	-347.732015551; Eh
	25-Aug-2020	/Ni_dppf_alkyl_solv_opt/NiIdppf_plus_PhCH2CH2_radical G16_SP_BB_Benzene_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-5089.5623367; Eh
	25-Aug-2020	/Ni_dppf_alkyl_solv_opt/NiIdppf_plus_PhCH2CH2_radical G16_SP_BB_Benzene_triplet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-5089.5623318; Eh
	25-Aug-2020	/Ni_dppf_alkyl_solv_opt/TS_HA_Nidppf_PhCH2CH2Cl G16_SP_BB_Benzene_triplet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-5538.344538; Eh
	25-Aug-2020	/Ni_dppf_alkyl_solv_opt/TS_HA_Nidppf_PhCH2CH2Cl G16_SP_BB_Benzene_oss	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-5538.3655393; Eh

Results 4061-4070 of 12842 (Search time: 0.004 seconds).