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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jan-2024	W_Int1	Garay Ruiz, Diego	ADF; 2016	Single point	PBE	TZ2P	-
	16-Jul-2024	/M_Fe_N_din6_s_c2_12/Rh_Fe_N_din6_s_c2_12 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-615.04702773; eV
	30-Jun-2023	Pt-3xN6-Pt-4xN6-8.18_19	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1970.60650448; eV
	30-Jun-2023	Pt-3xN6-Pt-4xN6-7.20_14	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1970.61783954; eV
	3-Feb-2023	/OD-Cu_sites s6	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-1838.37018637; eV
	3-Feb-2023	/OD-Cu_sites s4_CO3_H	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-1874.35499165; eV
	3-Feb-2023	/OD-Cu_sites s5_HCO3	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-1872.46031732; eV
	3-Feb-2023	/OD-Cu_sites s4_CO3	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-1870.31503395; eV
	3-Feb-2023	/OD-Cu_sites s5_O	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-1845.88960845; eV
	30-Jun-2023	Pt-3xN6-pristine-3xN6-5.68_08	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1972.67702296; eV

Results 42821-42830 of 103542 (Search time: 0.023 seconds).