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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-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_B-3-Br_tetNiBrPhIMes2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2263.32738065; Eh
	30-Aug-2018	large_basis_C-2-Cl_NiIXy2_e2PhCl_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2552.99589044; 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_A-5-I_NiITMe2_IPh_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1179.66794041; Eh
	30-Aug-2018	large_basis_IPhen_IPhen_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-688.496357545; Eh
	30-Aug-2018	large_basis_IXy_IXy_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-845.819164274; Eh
	30-Aug-2018	large_basis_TS-D-2-3-Cl_NiIPhen_oats_PhCl_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2238.36769712; Eh
	30-Sep-2021	/Water/TS_water ch3sch2ch3-seh-ts_6311+Gd_ch2cl2_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2919.63383011; Eh
	30-Aug-2018	large_basis_COD_COD_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-312.138936653; Eh

Results 3031-3040 of 12842 (Search time: 0.005 seconds).