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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Apr-2025	N2	Puggioli, Alessio	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVDZ GEN	-109.534473161; Eh
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuOH_4/phonopy/disp_046 disp_046	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-60.86173463; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuOH_4/phonopy/disp_045 disp_045	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-60.86618578; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuOH_4/phonopy/disp_004 disp_004	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-60.86420089; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuOH_4/phonopy/disp_003 disp_003	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-60.87937875; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuOH_4/phonopy/disp_036 disp_036	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-60.88231305; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuOH_4/phonopy/disp_005 disp_005	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-60.88421539; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuOH_4/phonopy/disp_047 disp_047	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-60.86747243; eV
	16-Jan-2026	/FG_dataset/carbamate_esters/ag/111 ag-37_4-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-200.85359418; eV
	16-Jan-2026	/FG_dataset/amides/zn/0001 zn-13X1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-89.41645921; eV

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