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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Sep-2025	/Optimizations/PBE_D3_U/Ovac_surface h2o-ads-hfo2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1333.77445086; eV
	29-Sep-2025	/Optimizations/PBE_D3_U/Ovac_surface h2o-ads-tio2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-977.66380083; eV
	29-Sep-2025	/Optimizations/PBE_D3_U/Ovac_surface h2o-ads-zro2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1223.85791164; eV
	29-Sep-2025	/Single-points/PBE-111kp/Ovac_surface-pristine-like h2o-ads-c-zro2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Single point	DFT	-	-823.10803919; eV
	29-Sep-2025	/Single-points/PBE-111kp/Ovac_subsurface na-m-mgo	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Single point	DFT	-	-371.80161149; eV
	29-Sep-2025	/Optimizations/PBE_D3_U/Pristine na-m-hfo2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1331.08681551; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/scan/phonopy/disp_013 disp_013	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-180.60360056; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/scan/phonopy/disp_012 disp_012	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-180.59662932; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/scan/phonopy/disp_009 disp_009	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-180.62340547; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/scan/phonopy/disp_011 disp_011	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-180.61837255; eV

Results 98761-98770 of 103542 (Search time: 0.057 seconds).