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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Dec-2025	/Reaction-paths/Incorporated-In/In@m-ZrO2 In@m-ZrO₂-i14	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-449.69041732; eV
	2-Dec-2025	/Reaction-paths/Incorporated-In/In@t-ZrO2 In@t-ZrO₂-i01	Ritopecki, Milica	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-433.25197078; eV
	2-Jul-2025	/termination/A_term/Clean Clean	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-1069.59823586; eV
	2-Jul-2025	/termination/Sn_term/H2O/SCF SCF	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	Single point	DFT	-	-13.50865910; eV
	2-Jul-2025	/termination/Sn_term/H2O H2O	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-13.50867122; eV
	16-Jan-2026	/FG_dataset/group2/ag/111 ag-3811-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-188.83004296; eV
	20-May-2025	radical_interm_CF3_4-phenyl-1-butene	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	DEF2SVP	-725.412216763; Eh
	20-May-2025	EDA_complex	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-3847.63730447; Eh
	20-May-2025	CF3SO2Br	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-3459.58244141; Eh
	20-May-2025	CF3SO2_anion	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	DEF2SVP	-885.682107231; Eh

Results 90671-90680 of 103529 (Search time: 0.049 seconds).