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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Jun-2024	/Interfaces/In₂O₃-M/In₂O₃-Ni In₂O₃-Ni-2vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	1-Jun-2024	/Interfaces/In₂O₃-M/In₂O₃-Pt In₂O₃-Pt-24vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	28-Aug-2024	tsc120cn_2c_dissockcn4_nrsB	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-7343.91206077; Eh
	28-Aug-2024	tsc120cn_2c_dissockcn4_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-7343.91216906; Eh
	28-Aug-2024	tsc120cn_2c_dissockcn2_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-5958.22179249; Eh
	8-Jan-2025	/Heptane-cleavage/RuNi-c RuNi-c-C1-C5-TS	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1450.31621036; eV
	1-Jun-2024	/Interfaces/In₂O₃-M/In₂O₃-Ni In₂O₃-Ni-14vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	1-Jun-2024	/Interfaces/In₂O₃-M/In₂O₃-Pt In₂O₃-Pt-23vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	8-Jan-2025	/Heptane-cleavage/RuNi-c RuNi-c-C6H	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	19-Mar-2026	/AsMoW As01Mo05W06O39-2H-iso-181876	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.42186723; Eh

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