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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-May-2024	/CO3_radical Au111-CO3rad_fix_1H2O	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-613.80992444; eV
	10-Jul-2023	h-cl-Pt-keto2-hom	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1984.81949113; eV
	10-Jul-2023	h-cl-Pt-keto4-hom	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1959.45697919; eV
	10-Jul-2023	h-cl-Pt-epo2-hom	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2025.67362769; eV
	10-Jul-2023	hcl-Pt-edge-co	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2364.11730819; eV
	10-Jul-2023	hcl-Pt-keto4	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1961.80095235; eV
	10-Jul-2023	hcl-Pt-keto2	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1985.62390264; eV
	10-Sep-2024	Pd-s	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1901.60960084; eV
	6-Sep-2024	/M06L/V V04O13-2H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	27-Jul-2024	/Ni_110/TS TS_CH+H__CH2	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-452.09182147; eV

Results 2211-2220 of 100136 (Search time: 0.004 seconds).