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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jan-2026	/FG_dataset/aromatics/au/111 au-7801-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-244.16602894; eV
	26-Nov-2024	/fe_n3c1_o2/fe_n3c1_4/fe_n3c1_4_ts1/fe_n3c1_4_ts1_N1/sc sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 30 2024 14:56:07) complex	Geometry optimization	DFT	-	-660.83912390; eV
	16-Jan-2026	/FG_dataset/group3N/pt/111 pt-49N9-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-361.98605005; eV
	15-Sep-2025	/Heptane-cleavage/Heptane-cleavage-flat-surfaces/RuNi-Ru NiRu-Ru-C3-C4-TS	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-614.31002590; eV
	19-Mar-2026	/AsMoW As01Mo07W05O40-2H-iso-219542700	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.35502866; Eh
	2-Jul-2025	/Bulk_structure/H2O/phonopy/disp_015 disp_015	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-14.42921312; eV
	2-Jul-2025	/Bulk_structure/H2O/phonopy/disp_002 disp_002	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-14.42638006; eV
	2-Jul-2025	/Bulk_structure/H2O/phonopy/disp_001 disp_001	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-14.42653448; eV
	2-Jul-2025	/Bulk_structure/H2O/phonopy/disp_010 disp_010	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-14.42732015; eV
	2-Jul-2025	/Bulk_structure/H2O/phonopy/disp_006 disp_006	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-14.42969227; eV

Results 84501-84510 of 104079 (Search time: 0.053 seconds).