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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Jul-2015	Adsorption_of_ClC6H4NO2_on_Lindlar	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-530.38511769; eV
	14-Jul-2015	Adsorption_of_ClC6H4NH2_on_Lindlar	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-527.62904970; eV
	14-Jul-2015	Adsorption_of_ClC6H4NH2_on_Pt(111)	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-532.51116317; eV
	14-Jul-2015	Adsorption_of_ClC6H4NH2_on_c-Pt	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-1724.16014645; eV
	14-Jul-2015	Adsorption_of_ClC6H4NO2_on_c-Pt	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-1725.31315030; eV
	30-Jun-2020	i111101	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-144.68694271; eV
	30-Jun-2020	i110101	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-137.83783813; eV
	10-Feb-2020	CHOH_on_O_of_PbOdAu3p_111	Chuong Nguyën, Huu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	DFT	-	-156.61504082; eV
	14-Jul-2015	Adsorption_of_ClC6H4NO2_on_Pt(111)	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-534.52984167; eV
	30-Jun-2020	i112102	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-152.44704797; eV

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