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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/SiW Si01W11O39-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-17.07989146; Eh
	16-Jan-2026	/FG_dataset/group2/ir/111 ir-4a12-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-489.07955726; eV
	16-Jan-2026	/FG_dataset/group2/ir/111 ir-4a11-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-488.95834004; eV
	16-Jan-2026	/slab/Pt7_with_reduction/mount/mn95/ceria_cluster/calcs/initial_adsorptions/100/pt07/4x4/flat_5_7/new_fix_model/1Ov_bulk_only_2l/sampling/1ce3/sec/ce3_32/chgs chgs	Li, Lulu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Single point	DFT	-	-1546.11102283; eV
	16-Jan-2026	/slab/Pt7_with_reduction/mount/mn95/ceria_cluster/calcs/initial_adsorptions/100/pt07/4x4/flat_5_7/new_fix_model/3Ov_bulk_only_2l/sampling/1ce3/sec/ce3_32/chgs chgs	Li, Lulu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Single point	DFT	-	-1531.54547261; eV
	2-Dec-2025	/Ga-models/Slabs-Ga(OH)3-adsorption/HfO2 Ga(OH)₃-m-HfO₂-2x2-cell	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1963.47382699; eV
	2-Dec-2025	/Zn-models/Slabs-Zn-incorporation/Surface/HfO2 Zn@m-HfO₂-surf-s3	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-463.52930108; eV
	2-Dec-2025	/Zn-models/Slabs-Zn-incorporation/Surface/HfO2 Zn@m-HfO₂-surf-s4	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-462.68074883; eV
	2-Dec-2025	/Zn-models/Slabs-Zn(OH)2-adsorption/HfO2 Zn(OH)₂-m-HfO₂-s5	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-505.59282607; eV
	2-Dec-2025	/Zn-models/Slabs-Zn-incorporation/Surface/HfO2 Zn@m-HfO₂-surf-s2	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-463.17622767; eV

Results 92111-92120 of 103083 (Search time: 0.065 seconds).