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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Jun-2024	/Au25_clusters/Au25_react Au23Cu2ks_SH-00_CO2	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Single point	DFT	-	-500.96509539; eV
	14-Jun-2024	/Au25_clusters/Au25_react Au23Cu2ks_SH-00_H	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-
	6-Sep-2024	/BP86/W W05O16-0H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	31-Jul-2023	/S_carbons/tr_C4S1_C5S0 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-645.81609440; eV
	31-Jul-2023	/S_carbons/tr_C4S1_C5S0 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-647.26882002; eV
	31-Jul-2023	/S_carbons/tr_C4S2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-619.65223364; eV
	31-Jul-2023	/S_carbons/tr_C4S1_C5S0 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-647.26916426; eV
	31-Jul-2023	/S_carbons/tr_C4S1_C5S0 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-647.31247513; eV
	31-Jul-2023	/S_carbons/tr_C4S0_C5S1 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-645.70756556; eV
	31-Jul-2023	/S_carbons/tr_C4S0_C5S1 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-645.68658649; eV

Results 50821-50830 of 104124 (Search time: 0.032 seconds).