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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Feb-2025	ts-srt-cycbiph	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ GEN	-3272.3979454; Eh
	3-Feb-2025	ts-srt-cyccyc	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ GEN	-3044.9158036; Eh
	3-Feb-2025	bromocyclohexane	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GEN	-2809.6215927; Eh
	3-Feb-2025	br-radical	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	CC-PVTZ GEN	-2574.1914101; Eh
	19-Mar-2026	/AsMoW As01Mo07W05O40-2H-iso-219545010	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.35436643; Eh
	2-Jul-2025	/Bulk_structure/CuWO4_3/hse/relax relax	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-126.08918941; eV
	2-Jul-2025	/Bulk_structure/CuWO4_3/hse hse	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-124.96431124; eV
	16-Jan-2026	/FG_dataset/aromatics/ni/111 ni-8a03-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-362.26814036; eV
	16-Jan-2026	/FG_dataset/group3N/gas 39N1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-68.98620170; eV
	16-Jul-2024	/M_Fe_N_din4_x2/M_Fe_N_din4_x2_c1_a_v2/Ag_Fe_N_din4_x2_c1_a_v2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-630.12967013; eV

Results 87981-87990 of 103542 (Search time: 0.05 seconds).