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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/PTaW P01Ta01W08O34-3H-iso-600	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-14.97727589; Eh
	25-Jun-2024	/Intermediates/Rh/110 HN_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Ru/10m10 O	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	18-Jun-2024	/Transition_states/Pd/111 1212-1111	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-
	6-Sep-2023	/Adsorptions/Zn₅Cu₈/H₂-Zn₅Cu₈-configurations H₂-Zn₅Cu₈-conf9	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-221.72489660; eV
	6-Sep-2023	/Adsorptions/Zn₅Cu₈/H₂-Zn₅Cu₈-configurations H₂-Zn₅Cu₈-conf4	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-221.76191013; eV
	16-Feb-2023	/M_S_din6_as_c2_36/Pt_S_din6_as_c2_36 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-604.58417298; eV
	7-Jun-2024	/Benchmark_adcluster_sites 1-6A-on100-ensemble_fixed-CO	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	4-Jan-2023	CuCl-epo-C2H2	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2039.77525309; eV
	19-Mar-2026	/AsW As00W02O07-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.08375388; Eh

Results 29301-29310 of 103542 (Search time: 0.017 seconds).