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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_dppf_ICH2CH2Ph G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-5089.5398956; Eh
	25-Aug-2020	/Ni_dppf_alkyl/Ni_CH2CH2Ph_Cl_dppf G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-5538.4243968; Eh
	16-Oct-2020	/Rh/TStrans_IV__VId MM3-16-transcyclopropanation-CHD-PROXIMAL-TSopt	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2905.18069784; Eh
	16-Oct-2020	/Rh/TS_Vb_VIb MM3-29-transdistal_int-to-transcyclopropane-TSopt	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2905.21188828; Eh
	16-Oct-2020	/Rh/TS_IV_Vb MM3-10-transcyclopropanation-CHD-TSopt	Armengol i Relats, Helena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2905.18381971; Eh
	25-Aug-2020	/Ni_dppf_aryl/Ni_dppf_open_dppf_Ph_Br G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-10833.0902637; Eh
	25-Aug-2020	/Ni_dppf_aryl/Ni_dppf_open_dppf_BrPh G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-10833.0871328; Eh
	25-Aug-2020	/Ni_dppf_alkyl/NiCODdppf G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-5079.9368876; Eh
	20-Nov-2021	pph33b3lyp_f	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G GENECP*	-1036.34074580; Eh
	20-Nov-2021	ph3oso3-corr	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-658.677537669; Eh

Results 6151-6160 of 6954 (Search time: 0.006 seconds).