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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_NiIMes2_distort_NiIMes2_eta2_PhCl_bb_NiL2frag	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2018.31962356; Eh
	30-Aug-2018	large_basis_D-6-Cl_NiClIPhen2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2006.71966450; 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
	2-Aug-2018	MDsnap_mono_1880	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2217.06041829; 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_1640	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2216.18485503; 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_NiIMes2_distort_NiIMes2_eta2_PhBr_bb_NiL2frag	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2018.31733565; 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

Results 14321-14330 of 103542 (Search time: 0.011 seconds).