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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Apr-2020	18e_reduced	Petrus, Enric	ADF; 2019	Single point	OPBE	TZP	-
	2-May-2023	/In₂O₃-rearrangment/In₂O₃-Pd In₂O₃-Pd-11vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-643.11695662; eV
	2-May-2023	/In₂O₃-rearrangment/In₂O₃-Pd In₂O₃-Pd-13vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-628.54808753; eV
	2-May-2023	/In₂O₃-rearrangment/In₂O₃-Pd In₂O₃-Pd-9vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-657.08152386; eV
	1-May-2023	/Slab-models a-TiO₂(101)	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1163.03213054; eV
	1-May-2023	/Adsorptions/Ru(0001) Ru-HMMF	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-682.42918209; eV
	1-May-2023	/Adsorptions/Ru(0001) Ru-DFF	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-674.85776667; eV
	1-May-2023	/Adsorptions/Au(111) Au-HMF	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-323.16156095; eV
	1-May-2023	/Adsorptions/Ni(111) Ni-MF	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-438.12865750; eV
	2-May-2023	/In₂O₃-rearrangment/In₂O₃-m-ZrO₂ In₂O₃-ZrO₂-15vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1923.65075686; eV

Results 52051-52060 of 104124 (Search time: 0.031 seconds).