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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/VMo V01Mo00O04-3H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.84006454; Eh
	19-Mar-2026	/W W12O40-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-17.46591036; Eh
	19-Mar-2026	/W W03O11-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-4.90060731; Eh
	25-Jun-2024	/Intermediates/Ir/100 C3H6O_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-452.96885916; eV
	25-Jun-2024	/Intermediates/Ir/100 C2H2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-422.94915676; eV
	25-Jun-2024	/Intermediates/Cd/10m11 H3N	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Os/0001 HS	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	5-Sep-2023	/Adsorptions/Cu₂-Zn₅ZrOx-b H₂-Cu₂-Zn₅ZrOx-b	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1727.81415569; eV
	5-Sep-2023	/Adsorptions/Cu-Zn₄ZrOx-b H₂-Cu-Zn₄ZrOx-b	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1744.18092962; eV
	8-Aug-2023	/References CO₂	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-22.95325033; eV

Results 56041-56050 of 104126 (Search time: 0.032 seconds).