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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-surfvac-2ce3-pos_30_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-843.34328451; eV
	4-Aug-2022	/Sampling pris-4O-bulkvac-2ce3-pos_33_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-842.30352217; eV
	25-Jun-2024	/Intermediates/Ag/100 C3H8S_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-184.27137368; eV
	11-Jul-2022	/redCO2 OD-Cu-254-HCOOH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1905.32342336; eV
	11-Jul-2022	/redCO2 OD-Cu-254-HCO2	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1902.11660320; eV
	11-Jul-2022	/redCO2 OD-Cu-254-CO3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1904.65130751; eV
	11-Jul-2022	/redCO2 OD-Cu-254-CH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1886.38678395; eV
	4-Aug-2022	/Sampling pris-4O-surfvac-2ce3-pos_28_33-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-843.71966641; eV
	4-Aug-2022	/Sampling pris-4O-surfvac-2ce3-pos_30_31-k3x3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-843.91136974; eV
	4-Aug-2022	/Sampling pris-4O-surfvac-2ce3-pos_30_33-k3x3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-843.98082870; eV

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