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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-May-2023	/In₂O₃-rearrangment/In₂O₃-Pd In₂O₃-Pd-7vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-668.62035726; eV
	1-May-2023	/Slab-models r-TiO₂(110)-1vac	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1933.13608826; eV
	1-May-2023	/Adsorptions/Ru(0001) Ru-HMF	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-682.23453741; eV
	1-May-2023	/Adsorptions/Au(111) Au-DMF	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-318.04128406; eV
	1-May-2023	/Adsorptions/Au(111) Au-MF	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-316.74237981; eV
	14-Jun-2024	/Au25_clusters/Au25_react Au24Agk_SH-00_CO2	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Single point	DFT	-	-499.46791847; eV
	14-Jun-2024	/Au25_clusters/Au25_react Au24Agk_SH-00_CO	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-
	1-May-2023	/Adsorptions/r-TiO₂-1vac r-TiO₂-vac-DMF	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-2024.19176624; eV
	1-May-2023	/Adsorptions/r-TiO₂-prist r-TiO₂-pristine-HMMF	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-2039.59318969; eV
	1-May-2023	/Adsorptions/a-TiO₂-1vac a-TiO₂-1vac-DMF	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1244.63369137; eV

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