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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_B_without_the_silyl_group Ba	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-872.754233927; Eh
	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_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
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo09O37-17H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo09O38-15H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo09O38-14H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo09O37-18H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-

Results 82621-82630 of 104124 (Search time: 0.05 seconds).