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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Aug-2018	small_basis_D-6-Cl_NiClIPhen2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G*	-2006.31738786; Eh
	30-Aug-2018	small_basis_IMes_IMes_gecp	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-924.227017658; Eh
	30-Aug-2018	small_basis_TS-A-5-6-I_NiITMe2_IPh_ossts_fIMes_t_opt_fix	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G*	-1179.39174386; Eh
	30-Aug-2018	small_basis_TS-D-2-3-Cl_NiIPhen2_eta2_PhCl_scan_s18ets	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G*	-2237.90295085; Eh
	30-Aug-2018	small_basis_TS-C-5-6-Cl_NiIXy2_ClPh_spt	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31G*	-2552.42692072; Eh
	30-Aug-2018	small_basis_COD_COD_twistboat_gecp	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-312.045740768; Eh
	30-Aug-2018	small_basis_THFrad_THF_rad_g	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G*	-231.800743657; Eh
	30-Aug-2018	small_basis_B-5-Br_NiIMes2_BrPh_t_sp_scanCBr_s27_t_ts_ircfwd_t_o	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G*	-2262.73336938; Eh
	30-Aug-2018	small_basis_TS-C-2-3-Cl_NiIXy2_OA_PhCl	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G*	-2552.44396796; Eh
	30-Aug-2018	small_basis_D-4-Cl_trans-NiClPhIPhen2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2237.98419847; Eh

Results 2901-2910 of 12842 (Search time: 0.004 seconds).