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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/pris/surface surface	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-851.13053886; eV
	22-Jan-2024	Pt-PPh3	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2131.65487161; 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
	13-Oct-2025	/Pd/100/adsorption/CH2 opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-371.82220500; eV
	6-Sep-2024	/BP86/W W10O32-1H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	31-Jul-2023	/M_N_SACs/M_tr_C4N3/Fe_tr_C4N3 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-636.73983043; eV
	31-Jul-2023	/M_N_SACs/M_tr_C4N3/Ag_tr_C4N3 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-629.63385345; eV
	14-Jun-2024	/Au25_clusters/Au25_react Au24Cus_SR-SH_CO2	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Single point	DFT	-	-525.30541173; eV
	7-Mar-2023	/100/nd/sac_ads/mos2 adsorbates-on_mn-no-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-876.00581085; eV

Results 30311-30320 of 101953 (Search time: 0.019 seconds).