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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Aug-2018	MDsnap_mono_520	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2215.29655064; 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
	2-Aug-2018	MDsnap_mono_1740	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2217.23447342; eV
	30-Aug-2018	large_basis_NiCOD2_NiCOD2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-793.668115087; Eh
	2-Aug-2018	MDsnap_mono_1700	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2216.46091206; eV
	2-Aug-2018	MDsnap_mono_620	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2215.65316116; eV
	2-Aug-2018	MDsnap_mono_1240	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2216.84895602; eV
	30-Aug-2018	large_basis_TS-C-2-3-Cl_NiIXy2_OA_PhCl_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2552.99075166; Eh
	30-Aug-2018	small_basis_B-5-I_NiIMes2_IPh_2001_r2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2260.95413771; Eh
	2-Aug-2018	MDsnap_mono_1580	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2215.47417069; eV

Results 26011-26020 of 104508 (Search time: 0.017 seconds).