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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Sep-2024	/B3LYP/Mo Mo02O10-8H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
	10-Sep-2025	/System_S_with_the_silyl_group_ STS1	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-1984.35550441; Eh
	2-Jul-2025	/Bulk_structure/CuOH_2__1/phonopy/disp_008 disp_008	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-37.41301832; eV
	2-Jul-2025	/Bulk_structure/CuOH_2__1/phonopy/disp_020 disp_020	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-37.41727927; eV
	2-Jul-2025	/Bulk_structure/CuOH_2__1/phonopy/disp_007 disp_007	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-37.42144628; eV
	2-Jul-2025	/Bulk_structure/Cu2+/phonopy phonopy	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-92.04815399; eV
	2-Jul-2025	/Bulk_structure/Cu2+ Cu2+	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-76.10308281; eV
	2-Jul-2025	/Bulk_structure/Cu2O Cu2O	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-47.15692552; eV
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo09O38-16H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	2-Jul-2025	/Bulk_structure/CuWO4_2/CuWO4_110_surface_defects/W_rich_regions/W_concentration_series/100_percent_W 100_percent_W	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-45655.97484531; eV

Results 4161-4170 of 101953 (Search time: 0.006 seconds).