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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Oct-2024	/metal-SDC-interface/Ni-Ce₃SmO₇ Ni-Ce₃SmO₇-conf3b	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/metal-SDC-interface/Ni-Ce₃SmO₇ Ni-Ce₃SmO₇-conf3a	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/metal-SDC-interface/Ni-Ce₃SmO₇ Ni-Ce₃SmO₇-conf3c	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/Slabs/Segregation/Ni-CoNi(001) Ni-CoNi(001)-3-Co-CO	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/Slabs/Islanding/CoNi(001) CoNi(001)-1-Co-CO	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/Slabs/Segregation/CoNi(111) CoNi(111)-4-Ni	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/Slabs/Islanding/CoNi(001) CoNi(001)-2-Ni	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	17-Sep-2024	Tc4O4H2O16_opt_h3ccn	Buils, Jordi	AMS; 2021.101; r94406	Geometry optimization	OPBE	-	-217.032875; eV
	17-Sep-2024	Tc18O62	Buils, Jordi	AMS; 2021.101; r94406	Geometry optimization	OPBE	-	-614.247097; eV
	17-Sep-2024	Tc20O68	Buils, Jordi	AMS; 2021.101; r94406	Geometry optimization	OPBE	-	-668.391935; eV

Results 99361-99370 of 103542 (Search time: 0.054 seconds).