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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_30_32_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-847.15602669; eV
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_28_30_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-847.23689906; eV
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_30_31_32-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-847.25091599; eV
	2-Dec-2022	/EPR-structures m-ZrO₂-superoxide-H₂-EPR-active	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-453.45769240; eV
	2-Dec-2022	/EPR-structures m-ZnZrOx-peroxide-EPR-silent	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-438.53604691; eV
	30-Jun-2023	Pd-3xN6-pristine-3xN6-4.91_06	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1973.18583471; eV
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_29_33_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-847.28572400; eV
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_30_32_33-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-847.20681204; eV
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_28_32_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-847.15663298; eV
	4-Aug-2022	/Sampling Au-4O-surfvac-3ce3-pos_29_35_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-847.12738536; eV

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