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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Sep-2025	/side_reactions ts_methane_formation	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	DEF2SVP	-596.263157045; Eh
	25-Sep-2025	/HFIP_mechanism ts_I1a_protonation	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	DEF2SVP	-1008.36221752; Eh
	25-Sep-2025	/HFIP_mechanism ts_methanol_formation	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	DEF2SVP	-904.191725982; Eh
	25-Sep-2025	/side_reactions ts_ketone_formation	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	DEF2SVP	-864.321753430; Eh
	25-Sep-2025	/side_reactions ts_formation_propanediol	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	DEF2SVP	-864.041521860; Eh
	25-Sep-2025	/side_reactions sp_ts_formation_propanediol	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	DEF2TZVPP	-865.080042; Eh
	10-Sep-2025	/System_S_with_the_silyl_group_ Sh	Apaloo-Messan, Edmond	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GENECP	-1168.61893614; Eh
	25-Sep-2025	/side_reactions ²R4a	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	DEF2SVP	-788.567431155; Eh
	25-Sep-2025	/HFIP_mechanism ²R3a	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	DEF2SVP	-788.545900029; Eh
	25-Sep-2025	/HFIP_mechanism 3a	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-555.463761349; Eh

Results 11781-11790 of 12948 (Search time: 0.011 seconds).