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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_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.58717982; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-4ce3-pos_28_32_34_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.65260397; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-4ce3-pos_28_29_31_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.69165239; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-4ce3-pos_28_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	-	-850.61422254; eV
	4-Aug-2022	/Sampling pris-2O-surfvac-2ce3-pos_29_31-k3x3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-844.75033792; eV
	29-Jul-2021	V10O28_2H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-12.24202860; Eh
	29-Jul-2021	V10O28_1H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-12.25198374; Eh
	29-Jul-2021	Nb4O12_1H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-5.59811846; Eh
	29-Jul-2021	Nb5O14_1H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-6.49207788; Eh
	29-Jul-2021	V02O7_2H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-3.19333763; Eh

Results 23501-23510 of 101944 (Search time: 0.013 seconds).