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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_NiIMes2_distort_NiIMes2_eta2_PhBr_bb_NiL2frag	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2018.31733565; Eh
	30-Aug-2018	large_basis_C-4-Cl_transNiClPhIXy2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2553.09435403; Eh
	30-Aug-2018	large_basis_C-5-Cl_NiIXy2_ClPh_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2553.01330102; Eh
	30-Sep-2021	/Water/TS_water ch3i-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-62.8727423194; Eh
	30-Aug-2018	large_basis_TS-C-2-3-Cl_NiIXy2_OA_PhCl_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2552.99075166; Eh
	30-Aug-2018	small_basis_B-5-I_NiIMes2_IPh_2001_r2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2260.95413771; Eh
	30-Aug-2018	small_basis_B-4-Br_NiBrPhIMes2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2262.81263762; Eh
	30-Aug-2018	large_basis_NiCOD2_NiCOD2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-793.668115087; Eh
	30-Aug-2018	large_basis_NiIMes2_distort_NiIMes2_eta2_PhI_fixCI_bb_NiL2frag	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2018.31627941; Eh
	30-Aug-2018	large_basis_TS-A-5-6-Br_NiITMe2_ossts_PhBr_t_oss_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-1181.44251873; Eh

Results 2991-3000 of 12842 (Search time: 0.005 seconds).