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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jul-2020	TAMOF	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2SVP	-10000.0130099; Eh
	25-Aug-2020	/Ni_dppf_aryl/NiBrdppf2_Phrad G16_SP_BB_Benzene_OpenShellSinglet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-10833.0711199; Eh
	25-Aug-2020	/Ni_dppf_aryl/NiBrdppf2_Phrad G16_SP_BB_Benzene_Triplet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-10833.0802333; Eh
	24-Jan-2020	/opt_freq/Cu/CH3 top_rot	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-153.83681854; eV
	24-Jan-2020	/opt_freq/Cu/CH3Br bri	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-155.89198276; eV
	24-Jan-2020	/opt_freq/Ir/CH3 top2	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-303.07199908; eV
	24-Jan-2020	/opt_freq/Fe/H top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-288.30787369; eV
	24-Jan-2020	/opt_freq/Fe/C top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-292.10651333; eV
	21-Jul-2020	RB1_product	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2SVP	-672.053913185; Eh
	21-Jul-2020	RL1_product	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	DEF2SVP	-672.062139633; Eh

Results 16121-16130 of 103542 (Search time: 0.012 seconds).