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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)/Amides/Acetamide/hollow_M5c-Obr config_2	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1135.18319105; eV
	23-Jul-2025	/TiO2(110)/Amides/Acetamide/top_M5c config_1	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1135.15812323; eV
	23-Jul-2025	/TiO2(110)/Amides/Acetamide/top_M5c config_2	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1135.18624910; eV
	19-Mar-2026	/AsTaW As01Ta03W08O39-3H-iso-29030976	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-17.21371094; Eh
	19-Mar-2026	/AsTaW As01Ta06W03O34-2H-iso-122430	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-15.28318011; Eh
	19-Mar-2026	/AsTaW As01Ta05W07O40-1H-iso-163446	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-17.72636468; Eh
	19-Mar-2026	/AsTaW As01Ta03W09O40-0H-iso-433	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-17.45019376; Eh
	19-Mar-2026	/PMo P00Mo03O09-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.50722286; Eh
	16-Oct-2026	/References Ag_Bulk	Redi, Ruben	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-12.83935040; eV
	16-Oct-2026	Cu(100)_7x5_4layers_EBE_conf3	Solé Daura, Albert	vasp; 6.5.1; 10Mar25 (build Nov 27 2025 11:00:13) complex	Single point	DFT	-	-798.72944656; eV

Results 104571-104580 of 104583 (Search time: 0.064 seconds).