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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_TS-D-5-6-Cl_NiIPhen2_ossts_PhCl_t_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2238.31537306; Eh
	30-Aug-2018	large_basis_PhH_benzene_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-232.324133299; Eh
	30-Aug-2018	large_basis_B-2-Br_NiIMes2_eta2_PhBr_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2263.26770899; Eh
	30-Aug-2018	large_basis_B-5-Cl_NiIMes2_ClPh_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2710.33851328; Eh
	30-Aug-2018	large_basis_B-4-I_transNiIPhIMes2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-2261.57557418; Eh
	30-Aug-2018	large_basis_TS-A-2-3-Cl_NiITMe2_OATS_PhCl_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1628.51976840; Eh
	30-Aug-2018	large_basis_NiCODIMes_B-1x_NiCODIMes_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(d,p)	-1406.00801396; Eh
	23-Jul-2018	/Isobutene/Pd/111/1H C4H8toC4H9NT	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Frequencies	DFT	-	-307.78990026; eV
	30-Aug-2018	large_basis_B-6-Cl_NiClIMes2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2478.70682012; Eh
	30-Aug-2018	large_basis_B-6-Br_NiBrIMes2_bb	Maseras, Feliu	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2031.65228445; Eh

Results 26651-26660 of 104508 (Search time: 0.017 seconds).