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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jan-2020	/opt_freq/Fe/H hollow	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-289.12727764; eV
	24-Jan-2020	/opt_freq/Fe/Br top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-288.60601827; eV
	25-Aug-2020	/Ni_dppf_aryl/Nidppf2_HATS G16_SP_BB_Benzene_OpenShellSinglet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-10833.0640357; Eh
	24-Jan-2020	/opt_freq/Cu/CH3Br fcc	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-155.77388398; eV
	24-Jan-2020	/opt_freq/Ir/CH3 fcc2	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-302.19794104; eV
	24-Jan-2020	/opt_freq/Ir/CH3 top1	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-303.08002943; eV
	24-Jan-2020	/opt_freq/Fe/CH4 top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-309.10250961; eV
	24-Jan-2020	/opt_freq/Ir/CH hcp	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-296.35021395; eV
	24-Jan-2020	/opt_freq/Ir/C top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-290.29428592; eV
	21-Jul-2020	TS-RL1	Jover Modrego, Jesús	Gaussian; 09; AS64L-G09RevD.01	Single point Structure	UB3LYP	DEF2SVP	-10672.0535874; Eh

Results 16111-16120 of 103542 (Search time: 0.011 seconds).