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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2023	/110/nd/sac_ads/mos5 adsorbates-on_ce-hno-n-rotated	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-601.45162260; eV
	7-Mar-2023	/110/nd/sac_ads/mos5 adsorbates-on_ce-nh3-nh3_next	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-605.36250880; eV
	7-Mar-2023	/110/nd/sac_ads/mos5 2vacs-o2-on_vac	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-581.53844732; eV
	7-Mar-2023	/110/nd/substitutional/adsorbates on_mn-o2	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-582.58302698; eV
	7-Mar-2023	/110/nd/substitutional/adsorbates on_mn-hno-n-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-694.47465861; eV
	7-Mar-2023	/110/nd/sac_ads/mos5 vac-vac_top	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-577.54258059; eV
	7-Mar-2023	/110/nd/sac_ads/mos5 only_sac	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-585.16178407; eV
	7-Mar-2023	/110/nd/sac_ads/mos5 only_sac-hse_sp-default	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-686.08339773; eV
	14-Feb-2022	/intermediates-electric-field Cu(111)-6x6-2CO-E-p03	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-546.34255317; eV
	26-Mar-2024	SP_TSC2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1522.4405448; Eh

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