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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Aug-2018	large_basis_C-6-Cl_NiClIXy2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2321.37875378; 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	large_basis_ITMe_ITMe_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-383.575486154; Eh
	8-May-2019	/Ni(I)N4 Ni(I)N4-clean_	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-648.78993739; eV
	2-Aug-2018	MDsnap_mono_1520	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2215.22273997; eV
	2-Aug-2018	MDsnap_mono_780	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2215.96145113; eV
	2-Aug-2018	MDsnap_mono_960	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2217.38508412; eV
	30-Aug-2018	large_basis_TS-A-5-6-Br_NiITMe2_ossts_PhBr_t_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-1181.41909459; Eh
	30-Aug-2018	large_basis_C-4-Cl_transNiClPhIXy2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2553.09435403; Eh
	30-Aug-2018	large_basis_C-5-Cl_NiIXy2_ClPh_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2553.01330102; Eh

Results 12391-12400 of 104589 (Search time: 0.012 seconds).