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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 Si00W03O09-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.72669550; Eh
	2-Jul-2025	/Bulk_structure/Cu2O/surf/slab_010 slab_010	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-89.84023766; eV
	2-Jul-2025	/Bulk_structure/Cu2O/surf/slab_101 slab_101	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-90.08088385; eV
	2-Jul-2025	/Bulk_structure/Cu2O/surf/slab_111 slab_111	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-90.72643623; 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
	10-Sep-2025	/System_B_without_the_silyl_group Bb	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1986.40416466; Eh
	10-Sep-2025	/System_B_without_the_silyl_group BTS1	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-1986.40087306; Eh
	10-Sep-2025	/System_B_without_the_silyl_group Bc	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D) LANL2DZ GENECP	-1986.42752245; Eh

Results 82611-82620 of 104124 (Search time: 0.054 seconds).