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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2023	/100/nd/sac_ads/mos4 only_sac-hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-1015.18359277; eV
	31-Jul-2023	/M_N_SACs/M_tr_C4N1/Au_tr_C4N1 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-629.63919550; eV
	31-Jul-2023	/M_N_SACs/M_tr_C4N3/Pd_tr_C4N3 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-631.85013299; eV
	7-Mar-2023	/100/nd/sac_ads/mos2 adsorbates-on_mn-n2o-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-883.15103870; eV
	7-Mar-2023	/100/nd/sac_ads/mos2 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	-	-873.28332442; eV
	7-Mar-2023	/100/nd/sac_ads/mos2 adsorbates-on_mn-o	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-868.72337335; eV
	7-Mar-2023	/100/nd/pris/surface hse_sp	Geiger, Julian	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-1005.13075835; eV
	22-Jan-2024	Pd-et3N	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2026.38824259; eV
	22-Jan-2024	Pd-etOH	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1954.20311719; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_102 disp_102	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61345579; eV

Results 49641-49650 of 104124 (Search time: 0.031 seconds).