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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jul-2023	/N_carbons/sq_C4N0_C5N1 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-615.31716311; eV
	31-Jul-2023	/N_carbons/tr_C4N3 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-626.76768978; eV
	31-Jul-2023	/P_carbons/tr_C5P2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-644.53427952; eV
	31-Jul-2023	/N_carbons/tr_C4N3 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-626.91387295; eV
	31-Jul-2023	/N_carbons/sq_C4X0_C5X0 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-614.17297619; eV
	31-Jul-2023	/N_carbons/tr_C4N1 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-625.29020787; eV
	31-Jul-2023	/N_carbons/tr_C4X0 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-623.63895564; eV
	14-Jun-2024	/Au25_clusters/Au25_react Au23Cu2ks_SH-SH_CO	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Single point	DFT	-	-502.43024287; eV
	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

Results 29401-29410 of 101953 (Search time: 0.02 seconds).