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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 Pt-2O-surfvac-4ce3-pos_28_31_34_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.37769983; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-4ce3-pos_28_30_31_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.51191167; eV
	19-Aug-2021	oxides-PtO2-bulk	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-36.70912637; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-4ce3-pos_28_31_32_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.53264111; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-4ce3-pos_28_32_33_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.37356043; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-4ce3-pos_28_29_33_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.61038267; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-4ce3-pos_28_30_32_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.60628747; eV
	29-Jul-2021	Nb7O22_1H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-10.32369093; Eh
	29-Jul-2021	NbO4_3H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-1.91474693; Eh
	29-Jul-2021	NbO3_3H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-1.20018597; Eh

Results 22981-22990 of 101944 (Search time: 0.014 seconds).