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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Aug-2022	/Sampling Au-4O-oxygen-2ce3-pos_35_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-860.38619086; eV
	4-Aug-2022	/Sampling Au-4O-oxygen-1ce3-pos_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-860.23779209; eV
	16-Apr-2022	Au-111-3x3-CO2-H+-el-00-1e	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-182.53107725; eV
	26-Feb-2024	ch3pcl3-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G GENECP*	-1773.39731748; Eh
	4-Aug-2022	/Sampling Au-4O-nondefect-2ce3-pos_28_32-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-853.74555191; eV
	4-Aug-2022	/Sampling Au-4O-nondefect-2ce3-pos_35_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-853.66505057; eV
	4-Aug-2022	/Sampling Au-4O-oxygen-2ce3-pos_30_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-860.42937439; eV
	4-Aug-2022	/Sampling Au-4O-oxygen-2ce3-pos_29_31-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-860.22199329; eV
	4-Aug-2022	/Sampling Au-4O-oxygen-2ce3-pos_32_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-860.22229896; eV
	4-Aug-2022	/Sampling Au-4O-oxygen-1ce3-pos_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-860.42793577; eV

Results 23141-23150 of 101944 (Search time: 0.013 seconds).