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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jan-2020	/ts/Ir R2	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-325.25022246; eV
	24-Jan-2020	/ts/Ir R6	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-323.01196143; eV
	24-Jan-2020	/ts/Ni R6	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-204.31981942; eV
	25-Aug-2020	/Ni_dppf_alkyl_solv_opt/NiCldppf_plus_PhCH2CH2_radical G16_SP_BB_Benzene_triplet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-5538.399672; Eh
	25-Aug-2020	/Ni_dppf_alkyl_solv_opt/PhCH2CH2I G16_SP_BB_Benzene_as_radical_anion	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-321.8002357; Eh
	25-Aug-2020	/Ni_dppf_alkyl/TS_HA_Nidppf_PhCH2CH2Cl G16_SP_BB_Benzene_triplet	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-311+G(D,P) GENECP	-5538.3461682; Eh
	24-Jan-2020	/ts/Rh R3	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-272.20354149; eV
	24-Jan-2020	/ts/Ir R3	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-328.10157768; eV
	24-Jan-2020	/ts/Ni R2	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-206.58548063; eV
	24-Jan-2020	/ts/Ni R5	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-209.96726810; eV

Results 16371-16380 of 104515 (Search time: 0.083 seconds).