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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_A-4-I_trans-NiIPhITMe2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1179.76388985; Eh
	30-Aug-2018	small_basis_D-2-Cl_NiIPhen2_eta2_PhCl	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2237.90332088; Eh
	30-Aug-2018	small_basis_C-4-Cl_transNiClPhIXy2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2552.54870847; Eh
	30-Aug-2018	large_basis_A-3-I_cis-NiIPhITMe2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1179.75532412; Eh
	30-Aug-2018	small_basis_A-5-Cl_NiITMe2ClPh_2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1628.18762256; Eh
	30-Aug-2018	small_basis_D-3-Cl_tet-NiClPhIPhen2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2237.96829722; Eh
	30-Aug-2018	small_basis_D-1_NiIPhen2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(d)	-1546.03055759; Eh
	30-Aug-2018	small_basis_A-2-Cl_cisNiClPhITMe2_isom1_r_scanCCl_s15	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1628.20971396; 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_A-2-Br_NiITMe2_eta2_PhBr_fCl_nosolv_solv_fixCBr	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1181.19618111; Eh

Results 1-10 of 116 (Search time: 0.001 seconds).