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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_PhH_benzene_gecp	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-232.256361877; Eh
	30-Aug-2018	small_basis_B-2-Br_NiIMes2_PhBr_OATS_fromCl_ts_ircrev_0p5	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2262.71531935; Eh
	30-Aug-2018	small_basis_B-4-I_NiIPhIMes2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2261.02616171; Eh
	30-Aug-2018	small_basis_A-3-Cl_cis-NiClPhITMe2_sqp	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1628.28145589; Eh
	30-Aug-2018	small_basis_NiCODITMe_NiITMeCOD	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-864.894348417; Eh
	30-Aug-2018	small_basis_B-3x-Cl_NiClPhIMes_3	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1785.53293647; Eh
	30-Aug-2018	small_basis_B-4-Cl_NiClPhIMes2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2709.83537734; 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	small_basis_A-4-Cl_NiClPhITMe2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1628.28851585; Eh

Results 41-50 of 50 (Search time: 0.001 seconds).