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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Feb-2020	/Multi_Br/Ni/Add_Br/Br_1 freq	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-190.97757206; eV
	5-May-2020	Odes-CuₘOₙ₋₁-site-2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-1834.80916195; eV
	5-May-2020	Odes-CuₘOₙ₋₁-site-20	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-1463.35092640; eV
	18-Feb-2021	/FormicAcid Carbonate	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-670.526932312; Eh
	28-May-2022	/CuAg Cu2Ag3(100)-CH-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-201.28841550; eV
	28-May-2022	/CuAg Cu2Ag3(100)-CHO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-194.71051343; eV
	30-Sep-2021	/DCM/ch3-EG_LG_DCM ch3och3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-155.076506430; Eh
	7-Feb-2020	/Multi_Br/Ni/Add_CH/Br_1 Br_1	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-204.52369469; eV
	7-Feb-2020	/Multi_Br/Ni/Add_CH/Br_1 freq	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-200.73759191; eV
	7-Feb-2020	/Multi_Br/Ni/Add_Br/Br_2 freq	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-195.26958814; eV

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