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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Sep-2024	/BP86/W W11O40-2H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	6-Sep-2024	/BP86/W W11O40-1H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	14-Jun-2024	/Au25_clusters/Au25_react Au25_SR-SH_H	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-
	14-Feb-2022	/intermediates-electric-field Cu(111)-6x6-2CuCO3-2-E-n01	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-598.52050756; eV
	14-Feb-2022	/intermediates-electric-field Cu(111)-6x6-2CuCO3-2-E-00	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-598.41327505; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N1_C5N1_d/Co_sq_C4N1_C5N1_d rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-626.52952762; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N1_C5N1_d/Fe_sq_C4N1_C5N1_d rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-628.32608858; eV
	31-Jul-2023	/M_S_SACs/M_sq_C4S2_C5S0/Pd_sq_C4S2_C5S0 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-617.63349072; eV
	2-Mar-2023	Bi-UiO-66-CN_surface	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-1321.01163630; eV
	2-Mar-2023	Bi-UiO-66_oco-	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-1329.51178439; eV

Results 28621-28630 of 101953 (Search time: 0.017 seconds).