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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Feb-2023	/M_P_din6_s_c3_013/Ir_P_din6_s_c3_013 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-597.45465376; eV
	17-Feb-2023	/M_P_din6_s_c3_013/Cu_P_din6_s_c3_013 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-591.95127957; eV
	17-Feb-2023	/M_P_din6_s_c3_012/Zn_P_din6_s_c3_012 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-589.64670026; eV
	17-Feb-2023	/M_P_din6_s_c3_012/Ir_P_din6_s_c3_012 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-596.88933166; eV
	17-Feb-2023	/M_P_din6_s_c3_013/Pt_P_din6_s_c3_013 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-596.44399731; eV
	17-Feb-2023	/M_P_din6_s_c3_013/Cd_P_din6_s_c3_013 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-589.61952488; eV
	19-Mar-2026	/Sand P02Mo18O62-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-25.37330321; Eh
	19-Mar-2026	/AsW As01W00O04-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.56171366; Eh
	7-Mar-2024	SP_TSD2b-8	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1140.0801499; Eh
	17-Feb-2023	/M_P_din6_s_c2_12/Cu_P_din6_s_c2_12 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-588.81625092; eV

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