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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_TS-B-5-6-Br_NiIMes2_BrPh_t_sp_scanCBr_s27_t_ts	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31G*	-2262.72968229; Eh
	30-Aug-2018	small_basis_TS-B-5-6-I_NiIMes2_IPh_ossts_fBr_1_t_scanCI_s5t_osst	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31G*	-2260.95387479; Eh
	30-Aug-2018	small_basis_TS-B-2-3-Br_NiIMes2_PhBr_OATS_fromCl_ts	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G*	-2262.71414736; Eh
	30-Aug-2018	small_basis_TS-A-5-6-Br_NiITMe2_ha_BrPh_fIMes_fix_t_ossts	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31G*	-1181.16693544; Eh
	30-Aug-2018	small_basis_TS-C-5-6-Cl_NiIXy2_ClPh_spt_ossts	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31G*	-2552.45397196; Eh
	30-Aug-2018	small_basis_TS-B-2-3-Cl_NiClPhIMes2_scanCCl_s13_optts3	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G*	-2709.72833218; Eh
	30-Aug-2018	small_basis_TS-A-5-6-Cl_NiITMe2_ha_ClPh_fIMes_fix_t_ossts	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	6-31G*	-1628.17471149; 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-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_TS-B-2x-3x-Cl_NiIMes_e2PhCl_1_scanCCl_s9ts	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G*	-1785.45272755; Eh

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