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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
17-Jul-2025	ts1_m06	Li, Yingzi	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	GENECP	-6131.0897688; Eh
17-Jul-2025	ts3_m06	Li, Yingzi	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	GENECP	-4286.0425463; Eh
17-Jul-2025	ts5_m06	Li, Yingzi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RM06	GENECP	-6983.1367164; Eh
17-Jul-2025	25a__m06	Li, Yingzi	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	6-311+G(D,P)	-960.5404366; Eh
17-Jul-2025	21d__m06	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	GENECP	-852.0450126; Eh
17-Jul-2025	21c__m06	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	GENECP	-852.0419824; Eh
17-Jul-2025	Me3SnF_m06	Li, Yingzi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RM06	GENECP	-222.9171984; Eh
17-Jul-2025	21b__m06	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	GENECP	-852.0445162; Eh
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_ STS3	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-1885.11334655; Eh

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