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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Mar-2022	np_on_111-peroxo-bdry	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-4283.72208751; eV
	3-Mar-2022	np_on_111-peroxo-111_top	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-4283.62307196; eV
	4-Aug-2022	/Sampling Pt-4O-surfvac-3ce3-pos_29_30_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-850.70537730; eV
	4-Aug-2022	/Sampling Pt-4O-surfvac-3ce3-pos_30_31_32-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-850.86780112; eV
	4-Aug-2022	/Sampling Pt-4O-surfvac-3ce3-pos_29_31_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.86288249; eV
	4-Aug-2022	/Sampling Pt-4O-surfvac-3ce3-pos_28_32_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.89462865; eV
	4-Aug-2022	/Sampling Pt-4O-surfvac-3ce3-pos_29_33_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-850.51801998; eV
	4-Aug-2022	/Sampling pris-2O-surfvac-2ce3-pos_31_34-k3x3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-844.44911734; eV
	3-Mar-2022	np_on_111-pt_ads-4O_100	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-4287.00296920; eV
	3-Mar-2022	np_on_111-pt_ads-111_top	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-4284.10527637; eV

Results 23211-23220 of 101944 (Search time: 0.015 seconds).