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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 Au23Ag2ks_SR-SH_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 W04O15-2H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	31-Jul-2023	/S_carbons/tr_C4S0_C5S2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-639.14836277; eV
	31-Jul-2023	/S_carbons/tr_C4S0_C5S2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-638.25191307; eV
	31-Jul-2023	/S_carbons/tr_C4S2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-620.45369045; eV
	31-Jul-2023	/S_carbons/tr_C4S0_C5S2 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-639.16472633; eV
	31-Jul-2023	/S_carbons/tr_C4S0_C5S2 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-639.14835099; eV
	31-Jul-2023	/S_carbons/tr_C4S2 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-620.45368358; eV
	16-Jul-2024	/M_Fe_N_din6_s_c1/Pt_Fe_N_din6_s_c1 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-613.83913367; eV
	16-Jul-2024	/M_Fe_N_din6_s_c1/Pt_Fe_N_din6_s_c1 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-613.83914230; eV

Results 51511-51520 of 104124 (Search time: 0.035 seconds).