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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_C-2-Cl_NiIXy2_e2PhCl	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2552.44902447; Eh
	30-Aug-2018	small_basis_B-6-I_NiIIMes2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G*	-2029.38580744; 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_IXy_IXy	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-845.585803408; Eh
	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-6-Br_NiBrITMe2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G*	-949.608756254; 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_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

Results 2911-2920 of 12842 (Search time: 0.004 seconds).