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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2023	Int-I	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-1901.31652287; Eh
	7-Mar-2024	SP_C10	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1676.1842555; Eh
	7-Mar-2024	SP_C11	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-963.9113396; Eh
	14-Feb-2022	/intermediates-electric-field Cu(111)-6x6-2CuC2O4-2-E-p03	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-614.00379418; eV
	18-Jun-2024	/Transition_states/Ir/111 2512-2413	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	31-Jul-2023	/M_N_SACs/M_sq_C4N1_C5N1_s/Os_sq_C4N1_C5N1_s rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-630.42446990; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N1_C5N1_s/Pd_sq_C4N1_C5N1_s rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-626.00214446; eV
	7-Mar-2023	/110/surf_vac/pris/adsorbates on_ce-no-fill_vac-diagonal-o-proton_added	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-584.31014072; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 adsorbates-on_vac-no-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-591.26632519; eV
	7-Mar-2023	/110/surf_vac/neighboring/mos2 adsorbates-on_vac-o2	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-587.70997878; eV

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