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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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_ 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
	10-Sep-2025	TMPH	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-409.199248635; Eh
	10-Sep-2025	Cl_sub	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GEN	-809.822888183; 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 ²R1a	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	DEF2SVP	-567.459661586; Eh
	25-Sep-2025	/HFIP_mechanism ts_rad_OMe_release	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	DEF2SVP	-567.437357890; Eh
	25-Sep-2025	/side_reactions ts_methanol_formation	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	DEF2SVP	-671.424977076; Eh

Results 11601-11610 of 12842 (Search time: 0.008 seconds).