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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/PTaW P01Ta01W04O19-0H-iso-1	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-8.24384122; Eh
	26-Aug-2024	geom12_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-611.4344723; Eh
	25-Jun-2024	/Intermediates/Au/110 C3H9N_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Ru/10m11 S_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	11-Feb-2025	/H2 H2	Buils, Jordi	AMS; 2021.101; r94406	Frequencies	BP86	-	-6.726529; eV
	16-Jul-2024	/M_Fe_N_din6_s_c2_15/Cu_Fe_N_din6_s_c2_15 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-611.89935007; eV
	1-Jul-2023	Ru-4xN6-pristine-4xN6-8.87_31	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1957.55374639; eV
	1-Jul-2023	Ru-4xN6-Ru-4xN6-6.39_12	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1967.24245902; eV
	24-Apr-2020	Pd111_Bsub-h01	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-204.04370218; eV
	24-Apr-2020	Pd111_Bsub-h00	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-203.72435946; eV

Results 28201-28210 of 103542 (Search time: 0.016 seconds).