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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Nov-2025	/Tc2OCln-2H2O/Tc2OCl10K4/Tc2OCl10K4_singlet Tc2OCl10K4_singlet	Hosseini, Farzaneh	AMS; 2021.101; r94406	Geometry optimization	PBE	-	-71.619221; eV
	2-Jul-2025	/Bulk_structure/Cu2O/surf/slab_110 slab_110	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-90.16314299; eV
	15-Sep-2025	/Heptane-cleavage/Heptane-cleavage-flat-surfaces/Ni Ni-C1-C6	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-500.39451114; eV
	15-Sep-2025	/Heptane-cleavage/Heptane-cleavage-flat-surfaces/Ni Ni-C1-C6-TS	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-498.63985787; eV
	2-Jul-2025	/Bulk_structure/CuWO4_2/CuWO4_110_surface_defects/oxygen_vacancies/O_vac_subsurface_double O_vac_subsurface_double	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-40739.14526391; eV
	2-Jul-2025	/Bulk_structure/CuWO4_2/CuWO4_110_surface_defects/oxygen_vacancies/O_vac_subsurface_single O_vac_subsurface_single	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-40749.74625706; eV
	2-Jul-2025	/Bulk_structure/CuWO4_2/CuWO4_110_surface_defects/antisite_defects/W_Cu_double W_Cu_double	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-43208.89567897; eV
	2-Jul-2025	/Bulk_structure/CuWO4_2/CuWO4_110_surface_defects/antisite_defects/Cu_W_double Cu_W_double	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-38287.31555645; eV
	2-Jul-2025	/Bulk_structure/CuWO4_2/CuWO4_110_surface_defects/antisite_defects/W_Cu_single W_Cu_single	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-41984.68733148; eV
	2-Jul-2025	/Bulk_structure/CuWO4_2/CuWO4_110_surface_defects/antisite_defects/Cu_W_single Cu_W_single	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-39523.69333235; eV

Results 3811-3820 of 101953 (Search time: 0.005 seconds).