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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 BTS3	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G(D) LANL2DZ GENECP	-1887.16171837; Eh
	10-Sep-2025	/System_B_without_the_silyl_group Bg	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D) LANL2DZ GENECP	-1887.20648181; Eh
	25-Sep-2025	/HFIP_mechanism triplet_EDA_complex	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	DEF2SVP	-1123.95091422; Eh
	25-Sep-2025	/side_reactions I3a	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-788.340774976; Eh
	25-Sep-2025	/side_reactions water	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-76.3653786949; Eh
	17-Jul-2025	ts2_21c__m06	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	GENECP	-4508.9348587; Eh
	17-Jul-2025	ts4a_m06	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	GENECP	-7111.3867675; Eh
	17-Jul-2025	ts4_m06	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	GENECP	-7230.0221667; Eh
	17-Jul-2025	ts2__m06	Li, Yingzi	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	GENECP	-4508.9514395; Eh
	17-Jul-2025	ts2_m06	Li, Yingzi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RM06	GENECP	-4508.9313912; Eh

Results 231-240 of 12354 (Search time: 0.003 seconds).