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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/dppf G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-3259.3978092; Eh
	18-Feb-2021	/Butanone Reactive_Complex	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-670.405982403; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3oTs-c6h5_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1166.61856097; Eh
	24-Jan-2020	/opt_freq/Pt/CH3 top2	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-219.60822369; eV
	24-Jan-2020	/opt_freq/Pt/CH2 top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-215.23568523; eV
	24-Jan-2020	/opt_freq/Pt/CH2 fcc	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-215.98837803; eV
	24-Jan-2020	/opt_freq/Pt/H fcc	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-203.46748406; eV
	25-Aug-2020	/Ni_dppf_alkyl/TS_Ni_Cl_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	-5538.3941339; Eh
	25-Aug-2020	/Ni_dppf_alkyl/PhCH2CH2Br G16_SP_Benzene_BB_as_radanion	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-2884.5514018; Eh
	25-Aug-2020	/Ni_dppf_alkyl/NiBrHdppf_styrene_isom G16_SP_BB_Benzene	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D,P) GENECP	-7652.3326139; Eh

Results 15971-15980 of 103542 (Search time: 0.01 seconds).