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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jun-2024	/Intermediates/Pt/110 H2S	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	4-Aug-2022	/Sampling pris-4O-bulkvac-2ce3-pos_31_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-842.54452856; eV
	4-Aug-2022	/Sampling pris-4O-surfvac-2ce3-pos_30_35-k3x3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-843.59518886; eV
	4-Aug-2022	/Sampling pris-4O-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	-	-843.68225096; 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
	4-Aug-2022	/Sampling pris-4O-bulkvac-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	-	-842.26787762; eV
	16-Jan-2026	/FG_dataset/amidines/ni/111 ni-4aZi-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-341.68136766; eV
	19-Mar-2026	/PTaW P01Ta03W02O19-2H-iso-6	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-8.52620805; Eh
	4-Aug-2022	/Sampling pris-4O-surfvac-2ce3-pos_28_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-843.04599191; eV
	16-Jan-2026	/FG_dataset/group2/pd/111 pd-3601-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-291.13714881; eV

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