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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jul-2021	V01O4_2H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-1.85877485; Eh
	29-Jul-2021	V01O4_1H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-1.83716855; Eh
	4-Aug-2022	/Sampling Pt-2O-surfvac-4ce3-pos_28_32_33_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.12874986; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-4ce3-pos_28_30_34_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.51817614; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-4ce3-pos_28_31_33_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.79430585; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-4ce3-pos_28_30_31_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.68252857; eV
	4-Aug-2022	/Sampling Pt-2O-surfvac-4ce3-pos_28_29_32_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-850.62305597; eV
	4-Aug-2022	/Sampling pris-2O-surfvac-2ce3-pos_29_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-844.42634574; eV
	4-Aug-2022	/Sampling pris-2O-surfvac-2ce3-pos_29_30-k3x3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-844.41256027; eV
	29-Jul-2021	V06O19_2H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-8.40712692; Eh

Results 69601-69610 of 104471 (Search time: 0.041 seconds).