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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Jun-2024	/Transition_states/Zn/0001 2425-2323	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	19-Mar-2026	/VMo V01Mo00O04-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.83552000; Eh
	26-Aug-2024	geom67_nox_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-934.9681076; Eh
	16-Jan-2026	/FG_dataset/amidines/ag/111 ag-38Za-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-198.81640543; eV
	16-Jan-2026	/FG_dataset/amidines/ag/111 ag-38Z9-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-198.97079716; eV
	16-Jan-2026	/FG_dataset/group3S/ag/111 ag-48S3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-195.62571663; eV
	5-Sep-2023	/Cu-ZnZrOx Cu-inc-Zn₅ZrOx	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1797.20568709; eV
	5-Sep-2023	/Adsorptions/m-ZrO₂ H₂-ZrO₂	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1823.10812751; eV
	5-Sep-2023	/Adsorptions/m-ZrO₂ CO₂-ZrO₂	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1840.28632183; eV
	12-Jul-2024	/References HCOOH	González Acosta, José Manuel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-29.89731789; eV

Results 55981-55990 of 104126 (Search time: 0.035 seconds).