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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_S_with_the_silyl_group_ Sd	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1575.17849137; Eh
	10-Sep-2025	/System_S_with_the_silyl_group_ Sa	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-870.729858260; 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	/HFIP_mechanism I1b	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-555.867446908; Eh
	25-Sep-2025	/HFIP_mechanism 1a	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-556.674043057; Eh
	25-Sep-2025	/side_reactions water	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-76.3653786949; Eh
	25-Sep-2025	/HFIP_mechanism EDA_complex	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-1123.99518748; 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

Results 11701-11710 of 12948 (Search time: 0.009 seconds).