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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Oct-2024	/Adsorptions/Coverage CoNi(111)-2CO	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/Adsorptions/Coverage Ni(111)-2CO	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/Adsorptions/Functionals/RPBE Ni(001)	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	17-Sep-2024	Tc4Re14	Buils, Jordi	AMS; 2021.101; r94406	Geometry optimization	OPBE	-	-646.221405; eV
	17-Sep-2024	Tc4Re16	Buils, Jordi	AMS; 2021.101; r94406	Geometry optimization	OPBE	-	-705.438301; eV
	17-Sep-2024	ReO4	Buils, Jordi	AMS; 2021.101; r94406	Geometry optimization	OPBE	-	-43.873653; eV
	1-Feb-2025	/Profiles/CoNi-Ce₃SmO₇ TS-1	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-886.79224984; eV
	2-Oct-2024	/metal-SDC-interface/CoNi-Ce₃SmO₇ CoNi-Ce₃SmO₇-conf5a	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	1-Feb-2025	/Profiles/CoNi-Ce₃SmO₇ TS-3	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-886.71262952; eV
	2-Oct-2024	/metal-SDC-interface/CoNi-Ce₃SmO₇ CoNi-Ce₃SmO₇-conf2c	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-

Results 97601-97610 of 103542 (Search time: 0.06 seconds).