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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-I_NiIMes2_ossts_PhI_t_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2261.48124081; Eh
	30-Aug-2018	large_basis_TS-B-5-6-I_NiIMes2_ossts_PhI_t_ossts_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2261.50730351; Eh
	30-Aug-2018	large_basis_TS-C-5-6-Cl_NiIXy2_ClPh_spt	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2552.97818662; Eh
	30-Aug-2018	large_basis_TS-B-5-6-Br_NiIMes2_ossts_PhBr_t_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2263.26214208; Eh
	30-Aug-2018	large_basis_A-6-Br_NiBrITMe2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-949.818278044; Eh
	30-Aug-2018	large_basis_TS-A-5-6-I_NiITMe2_IPh_ossts_t_ts_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-1179.66802572; Eh
	30-Aug-2018	large_basis_THFrad_THFrad_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-231.874549871; Eh
	30-Aug-2018	large_basis_Phrad_Phrad_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-231.634154727; Eh
	30-Aug-2018	large_basis_TS-A-5-6-I_NiITMe2_IPh_ossts_t_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-1179.64172017; Eh
	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

Results 31-40 of 47 (Search time: 0.002 seconds).