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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_din4_x2_c4_f/Ir_P_din4_x2_c4_f rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-620.32525518; eV
	17-Feb-2023	/M_P_din4_x2_c5_b/Au_P_din4_x2_c5_b rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-619.97834926; eV
	17-Feb-2023	/M_P_din4_x2_c5_a/Cu_P_din4_x2_c5_a rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-621.27727757; eV
	17-Feb-2023	/M_P_din4_x2_c5_a/Ag_P_din4_x2_c5_a rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-619.44345795; eV
	17-Feb-2023	/M_P_din4_x2_c5_a/Pd_P_din4_x2_c5_a rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-622.96284044; eV
	19-Mar-2026	/AsW As01W12O40-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-16.78549038; Eh
	8-Jan-2024	int9I	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ GENECP	-2571.0463129; Eh
	8-Jan-2024	int9	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ GENECP	-2621.7881568; Eh
	8-Jan-2024	I2-radical	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	GENECP	-591.7986614; Eh
	8-Jan-2024	I2	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-591.6314198; Eh

Results 46631-46640 of 104079 (Search time: 0.031 seconds).