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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/AsMoW As01Mo06W05O39-0H-iso-19960992	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.33897758; Eh
	19-Mar-2026	/AsMoW As01Mo02W07O34-3H-iso-3604	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-14.56923536; Eh
	19-Mar-2026	/AsMoW As01Mo04W05O31-1H-iso-20520	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-12.72150880; Eh
	19-Mar-2026	/AsMoW As01Mo01W10O39-1H-iso-36288000	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.66501373; Eh
	19-Mar-2026	/AsMoW As01Mo05W07O40-0H-iso-17652	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.60728798; Eh
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/H2WO4/phonopy/disp_013 disp_013	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-77009.83716450; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/H2WO4/phonopy/disp_014 disp_014	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-77009.83691580; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/H2WO4/phonopy/disp_015 disp_015	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-77009.83949741; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/H2WO4/phonopy/disp_016 disp_016	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-77009.83596349; eV
	16-Jan-2026	/FG_dataset/aromatics2/os/0001 os-8611-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-621.70148202; eV

Results 88051-88060 of 103542 (Search time: 0.148 seconds).