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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jul-2024	/M_Fe_N_din6_s_c3_013/Rh_Fe_N_din6_s_c3_013 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-614.98989327; eV
	10-Jul-2023	PtCl3-edge-cooh	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2386.49575429; eV
	10-Jul-2023	PtCl-edge-cooh	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2380.77322522; eV
	10-Jul-2023	PtCl-edge-co	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2361.27794927; eV
	10-Jul-2023	PtCl-keto4	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1956.14903558; eV
	10-Jul-2023	PtCl-keto2	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1980.97205248; eV
	6-Sep-2024	/M06L/V V04O13-1H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	10-Jul-2023	c2h2-PtCl2-edge-cooh-on-C-5-MB	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2408.78851897; eV
	10-Jul-2023	c2h2-PtCl2-edge-co-on-CO-6-MB	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2389.06325235; eV
	10-Jul-2023	h-cl-PtCl2-edge-co-hom	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2369.97469794; eV

Results 1811-1820 of 100136 (Search time: 0.004 seconds).