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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_A-5-Cl_NiITMe2_ClPh_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1628.49916775; Eh
	30-Aug-2018	small_basis_B-4-Cl_NiClPhIMes2	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-2709.83537734; Eh
	30-Aug-2018	small_basis_NiCODITMe_NiITMeCOD	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G*	-864.894348417; Eh
	8-May-2019	/Ni(I)N4 Ni(I)N4-H	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-651.19519926; eV
	2-Aug-2018	MDsnap_mono_1060	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2215.71990971; eV
	2-Aug-2018	MDsnap_mono_1660	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2216.58085662; eV
	2-Aug-2018	MDsnap_mono_560	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2215.55179548; eV
	2-Aug-2018	MDsnap_mono_1560	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2214.47766036; eV
	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

Results 12381-12390 of 104589 (Search time: 0.011 seconds).