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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_ Sg	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1885.17666895; 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_ STS3	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-1885.11334655; 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
	19-Mar-2026	/SiW Si01W05O19-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-8.25908667; Eh
	19-Mar-2026	/SiW Si01W00O04-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.79299714; Eh
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo36O128-32H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo18O65-17H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-

Results 83241-83250 of 104124 (Search time: 0.05 seconds).