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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Aug-2020	/Ni_dppf_alkyl/NiClHdppf_styrene_isom G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-5538.409515; Eh
	25-Aug-2020	/Ni_dppf_alkyl/PhCH2CH2I G16_SP_Benzene_BB_as_radanion	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-321.8003384; Eh
	25-Aug-2020	/Ni_dppf_alkyl/styrene G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-309.7490337; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3Ts-Ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1830.00642927; Eh
	24-Jan-2020	/opt_freq/Pt/CH3Br hcp	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-221.19593660; eV
	24-Jan-2020	/opt_freq/Pt/CH2 bri1	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-216.13289488; eV
	24-Jan-2020	/opt_freq/Pt/CHBr fcc	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-214.82009679; eV
	24-Jan-2020	/opt_freq/Rh/Br hcp	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-229.47014164; eV
	25-Aug-2020	/Ni_dppf_alkyl/TS_Ni_I_CH2CH2Ph_dppf_bH_elim G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-5089.5574275; Eh
	25-Aug-2020	/Ni_dppf_alkyl/NiBrHdppf G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-7342.5717786; Eh

Results 15961-15970 of 103542 (Search time: 0.011 seconds).