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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Sep-2025	/side_reactions I2	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-40.4889438849; Eh
	25-Sep-2025	/side_reactions ts_methanol_protonation	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	DEF2SVP	-671.515102491; Eh
	25-Sep-2025	/side_reactions ts_water_protonation	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	DEF2SVP	-632.237964059; Eh
	25-Sep-2025	/HFIP_mechanism sp_ts_I1a_protonation	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	DEF2TZVPP	-1009.4861236; Eh
	25-Sep-2025	/HFIP_mechanism sp_ts_rad_OMe_release	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	DEF2TZVPP	-568.093562; Eh
	25-Sep-2025	/side_reactions sp_ts_methanol_formation	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	DEF2TZVPP	-672.1756554; Eh
	25-Sep-2025	/HFIP_mechanism sp_ts_HFIP_regeneration	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	DEF2TZVPP	-1346.571787; Eh
	25-Sep-2025	/side_reactions sp_ts_methane_formation	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	DEF2TZVPP	-596.9228271; Eh
	25-Sep-2025	/HFIP_mechanism sp_triplet_EDA_complex	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	DEF2TZVPP	-1125.208737; Eh
	25-Sep-2025	/HFIP_mechanism sp_ts_methanol_formation	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	DEF2TZVPP	-905.2815962; Eh

Results 11631-11640 of 12842 (Search time: 0.008 seconds).