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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_TS-B-5-6-Cl_NiIMes2_ossts_PhCl_t_oss_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2710.32684219; Eh
	30-Aug-2018	large_basis_TS-D-5-6-Cl_NiIPhen2_ossts_PhCl_t_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2238.31537306; Eh
	30-Aug-2018	large_basis_TS-B-5-6-Cl_NiIMes2_ossts_PhCl_t_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2710.30413986; Eh
	30-Aug-2018	large_basis_TS-A-2-3-Cl_NiITMe2_OATS_PhCl_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1628.51976840; Eh
	30-Aug-2018	large_basis_D-5-Cl_NiIPhen2_ClPh_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2238.35062724; Eh
	30-Aug-2018	large_basis_B-4-I_transNiIPhIMes2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2261.57557418; Eh
	30-Aug-2018	large_basis_PhH_benzene_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-232.324133299; Eh
	30-Aug-2018	large_basis_TS-B-2-3-Cl_NiIMes2_oa_PhCl_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2710.31636386; Eh
	30-Aug-2018	large_basis_B-2-Br_NiIMes2_eta2_PhBr_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2263.26770899; Eh
	30-Aug-2018	large_basis_B-5-Cl_NiIMes2_ClPh_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2710.33851328; Eh

Results 3051-3060 of 12842 (Search time: 0.005 seconds).