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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Sep-2024	/BP86/PMo P00Mo02O07-1H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	27-Jul-2024	/Ni_110/TS TS_CO2+H__COOH	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-462.19057307; eV
	27-Jul-2024	/Ni_110/TS TS_CO__C+O	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-450.57163566; eV
	10-Jul-2023	c2h2-PtCl-edge-co-on-Pt	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2386.20619141; eV
	10-Jul-2023	c2h2-Pt-keto2-on-Pt	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2002.72371399; eV
	10-Jul-2023	c2h2-Pt-epo2-on-Pt	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2043.92338697; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_046 disp_046	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61012218; eV
	30-May-2024	/CO3_radical Au111-CO3rad_fix_3H2O	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-643.56262514; eV
	30-May-2024	/CO3_radical Au100-CO3rad_fix_3H2O	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Frequencies	DFT	-	-572.02473867; eV
	30-May-2024	/CO3_radical Au111-CO3rad_COfix	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Frequencies	DFT	-	-599.28708845; eV

Results 1431-1440 of 100138 (Search time: 0.003 seconds).