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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Sep-2025	Li(THF)3TMP	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-1113.62017026; Eh
	10-Sep-2025	/System_S_with_the_silyl_group_ Se	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1885.14704617; Eh
	10-Sep-2025	/System_S_with_the_silyl_group_ Sc	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1984.37985729; Eh
	10-Sep-2025	/System_S_with_the_silyl_group_ STS2	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-1885.13165997; Eh
	10-Sep-2025	/System_S_with_the_silyl_group_ Sf	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1885.15362507; Eh
	10-Sep-2025	Li(THF)3Bpin	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-1191.67771169; Eh
	10-Sep-2025	ketone	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-309.916363096; 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

Results 4891-4900 of 101953 (Search time: 0.007 seconds).