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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 pris-4O-bulkvac-2ce3-pos_28_30-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-842.19985106; eV
	4-Aug-2022	/Sampling pris-2O-surfvac-2ce3_subspol-pos_22_23-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-844.29911533; eV
	4-Aug-2022	/Sampling pris-2O-surfvac-2ce3_subspol-pos_25_26-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-844.10534211; eV
	4-Aug-2022	/Sampling pris-2O-surfvac-2ce3_subspol-pos_22_26-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-844.15179187; eV
	4-Aug-2022	/Sampling pris-2O-surfvac-2ce3_subspol-pos_24_26-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-844.31460397; eV
	29-Sep-2021	/AIMD Au(111)-3sqrt3x3sqrt3-Cs-H2O-AIMD-it-4	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Ab-Initio Molecular Dynamics	DFT	-	-1415.37621710; eV
	29-Sep-2021	/AIMD Au(111)-3sqrt3x3sqrt3-Ba-H2O-AIMD-it-2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Ab-Initio Molecular Dynamics	DFT	-	-1416.31352241; eV
	10-Jul-2022	/solvation sol-on-OD-Cu-254-CO2CO2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 7 2017 12:03:20) complex	Geometry optimization	DFT	-	-1880.85120491; eV
	1-Mar-2022	Rh-4O-2Ce3-31_34	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-858.08420851; eV
	29-Sep-2021	/AIMD Au(111)-3sqrt3x3sqrt3-Mg-CO2-AIMD-it-1	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Ab-Initio Molecular Dynamics	DFT	-	-1417.80433674; eV

Results 30711-30720 of 104512 (Search time: 0.018 seconds).