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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo09O37-14H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo08O35-13H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo08O35-14H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo08O26-2H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo08O26-1H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	15-Sep-2025	/Heptane-cleavage/Heptane-cleavage-flat-surfaces/Ni Ni-C7	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-500.99901637; eV
	2-Jul-2025	/Bulk_structure/CuWO4_2/CuWO4_110_surface_defects/oxygen_vacancies/O_vac_surface_single O_vac_surface_single	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-40749.68740156; eV
	2-Jul-2025	/Bulk_structure/H2O/phonopy/disp_005 disp_005	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-14.42923742; eV
	2-Jul-2025	/Bulk_structure/H2O/phonopy/disp_004 disp_004	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-14.42745840; eV
	2-Jul-2025	/Bulk_structure/H2O/phonopy/disp_003 disp_003	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-14.42700922; eV

Results 4551-4560 of 101953 (Search time: 0.006 seconds).