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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_NiCOD2_NiCOD2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-793.668115087; Eh
	30-Aug-2018	large_basis_TS-C-2-3-Cl_NiIXy2_OA_PhCl_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2552.99075166; Eh
	30-Aug-2018	large_basis_D-2-Cl_NiIPhen2_e2_PhCl_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2238.36781748; Eh
	30-Aug-2018	large_basis_NiIMes2_distort_NiIMes2_eta2_PhI_fixCI_bb_NiL2frag	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2018.31627941; Eh
	30-Aug-2018	large_basis_TS-B-2-3-Br_NiIMes2_oa_PhBr_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2263.26590917; Eh
	30-Aug-2018	large_basis_A-3-Br_cis-NiBrPhITMe2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1181.53805248; Eh
	30-Aug-2018	large_basis_PhCl_PhCl_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-691.950431153; Eh
	30-Aug-2018	large_basis_A-2-Cl_NiITMe2_eta2_PhCl_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1628.52099082; Eh
	30-Aug-2018	large_basis_D-3-Cl_cis-NiClPhIPhen2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2238.43288662; Eh
	30-Aug-2018	large_basis_IMes_IMes_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-924.480889126; Eh

Results 11-20 of 61 (Search time: 0.001 seconds).