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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/PMoW P00Mo02W01O09-0H-iso-2	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.63142460; Eh
	19-Mar-2026	/PMoW P01Mo01W08O34-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-14.68265670; Eh
	16-Jan-2026	/FG_dataset/group2/rh/111 rh-4a02-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-407.87566841; eV
	2-Dec-2025	/Interlayer_Spacing/2Pd_pore L1_Inter	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-723.29318308; eV
	2-Dec-2025	/Interlayer_Spacing 3Pdcav_1inter	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-749.44759582; eV
	2-Dec-2025	/Interlayer_Spacing 3Pdcav_L3	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-749.01971783; eV
	2-Dec-2025	/Interlayer_Spacing/1Pd_cav L2	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-724.03602766; eV
	2-Dec-2025	/Interlayer_Spacing/1Pd_cav L3	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-723.82407090; eV
	2-Dec-2025	/Interlayer_Spacing/1Pd_cav L1	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-724.18122341; eV
	19-Jan-2026	/MDs/2.5nm/Odoping/bulk sphere	Ibáñez-Alé, Enric	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-

Results 97431-97440 of 103542 (Search time: 0.058 seconds).