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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Sep-2024	/M06L/Mo Mo01O04-1H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/V H5O2	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	31-May-2024	/Surfaces mpg-C₃N₄	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1900.39522285; eV
	10-Sep-2024	Pt_NH3_2_1S_h-cl-scaff	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2017.65240833; eV
	31-Jul-2023	/M_S_SACs/M_sq_C4S1_C5S2/Au_sq_C4S1_C5S2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-607.85492896; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N1_C5N0/Au_sq_C4N1_C5N0 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-624.16574224; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4X0_C5X0/Ni_sq_C4X0_C5X0 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-624.68578310; eV
	31-Jul-2023	/M_N_SACs/M_tr_C4N3/Rh_tr_C4N3 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-634.01851209; eV
	31-Jul-2023	/N_carbons/sq_C4N1_C5N1_d sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-616.16543760; eV
	31-Jul-2023	/N_carbons/sq_C4N2_C5N0 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-615.58374490; eV

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