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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Aug-2020	/Ni_dppf_alkyl/Ni_Cl_CHMePh_dppf G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-5538.4161037; Eh
	25-Aug-2020	/Ni_dppf_alkyl/NiIHdppf G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-4779.8112573; Eh
	25-Aug-2020	/Ni_dppf_alkyl/PhCH2CH2Br G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-2884.5356709; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3Ts-i_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-946.446908710; Eh
	25-Aug-2020	/Ni_dppf_alkyl/Ni_Cl_dppf_open-dppf_+_PhCH2CH2_rad G16_SP_BB_Benzene_triplet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-8797.8335896; Eh
	25-Aug-2020	/Ni_dppf_alkyl/NiClHdppf_styrene_isom G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-5538.409515; Eh
	25-Aug-2020	/Ni_dppf_alkyl/PhCH2CH2I G16_SP_Benzene_BB_as_radanion	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-321.8003384; Eh
	25-Aug-2020	/Ni_dppf_alkyl/styrene G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-309.7490337; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3Ts-Ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1830.00642927; Eh
	25-Aug-2020	/Ni_dppf_alkyl/TS_Ni_I_CH2CH2Ph_dppf_bH_elim G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-5089.5574275; Eh

Results 3361-3370 of 12842 (Search time: 0.005 seconds).