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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Dec-2025	/Interlayer_Spacing/1Pd_cav_1Pd_pore Inter_L2	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-728.97455327; eV
	2-Dec-2025	/Reaction_Pathway_on_Pdcav_Pd-pyPPC Ph2	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1140.60529094; eV
	2-Dec-2025	/Interlayer_Spacing/1Pd_pore InterCl2	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-723.85839520; eV
	2-Dec-2025	/Interlayer_Spacing/2Pd_pore L1_L3	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-723.00358097; eV
	2-Dec-2025	/Interlayer_Spacing/1Pd_pore Inter	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-718.57624310; eV
	19-Jan-2026	/MDs/2.5nm/Odoping/shell cubic	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	19-Jan-2026	/MDs/2.5nm/300K wuff	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	19-Jan-2026	/MDs/2.5nm/vacancy/shell0.05 sphere	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	19-Jan-2026	/MDs/2.5nm/vacancy/shell0.05 wuff	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	19-Jan-2026	/MDs/2.5nm/vacancy/bulk0.05 cubic	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-

Results 98451-98460 of 103542 (Search time: 0.059 seconds).