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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_A-3-I_cis-NiIPhITMe2_sqp	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1179.48232297; Eh
	30-Aug-2018	small_basis_A-5-I_NiITMe2IPh	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1179.39175512; Eh
	30-Aug-2018	small_basis_IPhen_IPhen	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(d)	-688.305264293; Eh
	30-Aug-2018	small_basis_PhBr_PhBr_g	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-244.832457648; Eh
	30-Aug-2018	small_basis_PhI_PhI_g	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-243.043279113; Eh
	30-Aug-2018	small_basis_THF_THF_g	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-232.459004827; Eh
	30-Aug-2018	small_basis_A-4-Br_NiBrPhITMe2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1181.27264308; Eh
	30-Aug-2018	small_basis_A-4-I_NiIPhITMe2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1179.49143667; Eh
	30-Aug-2018	small_basis_NiCODIXy_NiCODIXy	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-1327.03087490; 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

Results 31-40 of 116 (Search time: 0.001 seconds).