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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-charged Au24Agk_00-tc_charged	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-
	8-Jan-2024	cu2-morph-pic	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ GEN	-2575.6637937; Eh
	8-Jan-2024	cu1-prod	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GEN	-2922.3147105; Eh
	8-Jan-2024	cu1-opiv	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1987.2389943; Eh
	8-Jan-2024	cu3-ch	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GEN	-2575.0091003; Eh
	17-Feb-2023	/M_P_din4_x2_c4_d_v2/Cu_P_din4_x2_c4_d_v2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-615.08978490; eV
	17-Feb-2023	/M_P_din4_x2_c4_d_v2/Cd_P_din4_x2_c4_d_v2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-611.32178720; eV
	17-Feb-2023	/M_P_din4_x2_c4_d_v2/Ir_P_din4_x2_c4_d_v2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-620.62148570; eV
	17-Feb-2023	/M_P_din4_x2_c4_c_v2/Os_P_din4_x2_c4_c_v2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-623.64548220; eV
	17-Feb-2023	/M_P_din4_x2_c4_d/Ru_P_din4_x2_c4_d rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-620.57985442; eV

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