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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo04O13-2H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo04O18-6H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo04O13-1H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo04O13-0H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Aug-2025	/funcionais/lpno/intermediario_OH opt_intermediario_OH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	-	aug-cc-PVTZ; cc-pVTZ/C	-2554.35435080; Eh
	26-Aug-2025	/funcionais/lpno/OH opt_OH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	-	aug-cc-PVTZ; cc-pVTZ/C	-75.41211660; 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	/side_reactions water	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-76.3653786949; Eh
	26-Aug-2025	/bases/aug_cc_pvtz/H3O opt_H3O	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	DFT	aug-cc-pvtz	-76.69894691; Eh

Results 4931-4940 of 101953 (Search time: 0.006 seconds).