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Item hits:

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
	10-Sep-2025	/System_B_without_the_silyl_group Bi	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-695.506817022; Eh
	10-Sep-2025	/System_B_without_the_silyl_group Bh	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GENECP	-1170.64729402; Eh
	10-Sep-2025	LiI(THF)3	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-716.518139777; Eh
	25-Sep-2025	/HFIP_mechanism I8	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-452.925230132; Eh
	25-Sep-2025	/side_reactions I5	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-864.396921577; Eh
	25-Sep-2025	/HFIP_mechanism I10	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-789.225641705; Eh
	25-Sep-2025	/side_reactions I6	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-787.991102106; Eh
	25-Sep-2025	/HFIP_mechanism I11	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-115.639029217; Eh

Results 11621-11630 of 12842 (Search time: 0.008 seconds).