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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Sep-2025	/System_S_with_the_silyl_group_ Si	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-693.476348853; Eh
	10-Sep-2025	/System_S_with_the_silyl_group_ Sh	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GENECP	-1168.61893614; Eh
	2-Jul-2025	/Bulk_structure/CuWO4_2/surf/slab_111 slab_111	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-40712.88074898; eV
	2-Jul-2025	/Bulk_structure/CuWO4_2/surf/slab_101 slab_101	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-40757.03638145; eV
	2-Jul-2025	/Bulk_structure/CuWO4_2/surf/slab_100 slab_100	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-40690.52407638; eV
	2-Jul-2025	/Bulk_structure/CuWO4_2/surf/slab_110 slab_110	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-40760.26194154; eV
	2-Jul-2025	/Bulk_structure/Cu2O/surf/slab_011 slab_011	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-90.17861196; eV
	2-Jul-2025	/Bulk_structure/Cu2O/surf/slab_001 slab_001	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-89.84051103; eV
	2-Jul-2025	/Bulk_structure/Cu2O/surf/slab_100 slab_100	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-89.84008377; eV
	10-Sep-2025	/System_B_without_the_silyl_group Bi	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-695.506817022; Eh

Results 3451-3460 of 101944 (Search time: 0.005 seconds).