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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/phonopy/disp_035 disp_035	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-38.20439589; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/phonopy/disp_034 disp_034	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-38.20028285; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/phonopy/disp_033 disp_033	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-38.19951420; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/phonopy/disp_002 disp_002	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-38.19759492; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/phonopy/disp_024 disp_024	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-38.20136610; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/phonopy/disp_025 disp_025	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-38.20254050; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/phonopy/disp_032 disp_032	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-38.20324837; eV
	29-Sep-2025	/Optimizations/PBE_D3_U/Ovac_surface_pristine-like h2o-dis-b-tio2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1554.61382196; eV
	29-Sep-2025	/Optimizations/PBE_D3_U/Ovac_surface_pristine-like h2o-dis-a-tio2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1169.41236566; eV
	29-Sep-2025	/Optimizations/PBE_D3_U/Ovac_surface_pristine-like h2o-dis-m-zro2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1961.01417330; eV

Results 98811-98820 of 103542 (Search time: 0.056 seconds).