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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jul-2025	/TiO2(110)/Amines/Ethanamine/hollow_M5c-Oip config_2	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1135.54012476; eV
	19-Mar-2026	/SiW Si01W09O34-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-14.99482534; Eh
	19-Mar-2026	/SiW Si01W12O40-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-17.20927517; Eh
	19-Mar-2026	/SiW Si01W09O31-3H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-13.21600146; Eh
	19-Mar-2026	/SiW Si01W03O13-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-5.64597878; Eh
	19-Mar-2026	/SiW Si00W02O08-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.61708860; Eh
	19-Mar-2026	/SiW Si01W05O19-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-8.27912805; Eh
	16-Jan-2026	/slab_pt13/Pt13_with_reduction/mount/mn95/ceria_cluster/calcs/initial_adsorptions/100/pt13/flat/4x4_slab/ads_1/new_fix_model/ori/sampling/1ce3/sec/ce3_16/chgs/co_ads/7 7	Li, Lulu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Geometry optimization	DFT	-	-1598.96378931; eV
	16-Jan-2026	/FG_dataset/oximes/pd/111 pd-37Y2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-308.78874462; eV
	16-Jan-2026	/FG_dataset/oximes/pd/111 pd-49Y3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-325.35298626; eV

Results 90491-90500 of 103529 (Search time: 0.056 seconds).