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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_ITMe_ITMe_genecp	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-383.459596056; Eh
	30-Aug-2018	small_basis_NiCOD2_NiCOD2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-793.490504758; Eh
	30-Aug-2018	small_basis_A-3-Br_cis-NiBrPhITMe2_sqp	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1181.26427431; Eh
	30-Aug-2018	small_basis_C-1_NiIXy2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1860.60303884; Eh
	30-Aug-2018	small_basis_B-2-Cl_NiClPhIMes2_scanCCl_s13_optts3_ircrev_opt	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2709.73313454; Eh
	30-Aug-2018	small_basis_NiCODIMes_B-1x_NiIMesCOD	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1405.67243881; 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_PhCl_PhCl_g	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-691.852584077; Eh
	30-Aug-2018	small_basis_B-3-Cl_cis-NiClPhIMes2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2709.79536616; Eh
	30-Aug-2018	small_basis_B-3-Br_cis-NiBrPhIMes2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2262.77718946; Eh

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