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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Jun-2022	Au-111-3x3-CO2-el-04-1e	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-46.85516545; eV
	7-Jun-2022	Au-111-3x3-CO2-el-06-1e	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-46.70835802; eV
	7-Jun-2022	Au-111-3x3-CO2-el-00	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-179.41839425; eV
	7-Jun-2022	Au-111-3x3-CO2-el-04	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-179.77045638; eV
	7-Jun-2022	Au-111-3x3-CO2-el-02	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-179.38190750; eV
	7-Jun-2022	Au-111-3x3-CO2-el-00-1e	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-46.83360927; eV
	7-Jun-2022	Au-111-3x3-CO2-el-02-1e	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-46.81980207; eV
	7-Jun-2022	Au-111-3x3-CO2-el-06	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-180.34574366; eV
	16-Apr-2022	Au-111-3x3-CO2-H+-el-02-1e	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-182.50982611; eV
	16-Apr-2022	Au-111-3x3-CO2-H+-el-04-1e	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-182.77221380; eV

Results 1-10 of 17 (Search time: 0.001 seconds).