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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Feb-2025	/single_point_recalculations_Eel/T125 Mo09O38-17H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T125 Mo09O38-18H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T125 Mo18O65-18H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	28-Nov-2024	/Grand_Canonical Au100_CO3_2H2O_U-0_0	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex	Geometry optimization	DFT	-	-
	28-Nov-2024	/CO3_react Au100-K_5H2O_CO3	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	28-Nov-2024	/CO3_react Au100-K_5H2O	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	6-Sep-2024	/M06L/Mo Mo02O10-8H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/Mo Mo02O07-2H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	16-Jul-2024	/M_Fe_N_din6_as/M_Fe_N_din6_as_c4_3456/Rh_Fe_N_din6_as_c4_3456 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-635.72959400; eV
	16-Jul-2024	/M_Fe_N_din6_as/M_Fe_N_din6_as_c2_35/Ag_Fe_N_din6_as_c2_35 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-629.82412403; eV

Results 4351-4360 of 101953 (Search time: 0.006 seconds).