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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Aug-2018	large_basis_PhI_PhI_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-243.107614001; Eh
	30-Aug-2018	large_basis_A-4-Br_trans-NiBrPhITMe2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1181.54575592; Eh
	30-Aug-2018	large_basis_B-3-I_tetNiIPhIMes2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2261.54374849; Eh
	30-Aug-2018	large_basis_C-1_NiIXy2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1861.05447589; Eh
	30-Aug-2018	large_basis_B-2-Cl_NiIMes2_eta2_PhCl_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2710.32115799; Eh
	30-Aug-2018	large_basis_B-5-Br_NiIMes2_BrPh_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2263.28686329; Eh
	30-Aug-2018	large_basis_D-1_NiIPhen2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1546.39870797; Eh
	30-Aug-2018	large_basis_PhBr_PhBr_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-244.896837913; Eh
	30-Aug-2018	large_basis_THF_THF_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-232.533030898; Eh
	30-Aug-2018	large_basis_A-2-Br_NiITMe2_eta2_PhBr_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1181.46957691; Eh

Results 21-30 of 61 (Search time: 0.001 seconds).