1. Institute of Chemical Research of Catalonia

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Showing results 8386 to 8405 of 93567 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_015 disp_015Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41675673; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_016 disp_016Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41394231; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_017 disp_017Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.42949701; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_018 disp_018Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.40180097; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_019 disp_019Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41721900; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_020 disp_020Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41727927; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_021 disp_021Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41785808; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_022 disp_022Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41302672; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_023 disp_023Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41904813; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_024 disp_024Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41422848; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_025 disp_025Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41761378; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_026 disp_026Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41692911; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_027 disp_027Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41313507; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_028 disp_028Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41749065; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_029 disp_029Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41494252; eV
Login required2-Jul-2025/Bulk_structure/CuOH_2__1/phonopy/disp_030 disp_030Benzidi, Hindvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexSingle pointDFT--37.41854913; eV
Login required2-Jul-2025/Bulk_structure/CuWO4_2/band bandBenzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--20390.30313641; eV
Login required2-Jul-2025/Bulk_structure/CuWO4_2/CuWO4_110_surface_defects/antisite_defects/Cu_W_double Cu_W_doubleBenzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--38287.31555645; eV
Login required2-Jul-2025/Bulk_structure/CuWO4_2/CuWO4_110_surface_defects/antisite_defects/Cu_W_single Cu_W_singleBenzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--39523.69333235; eV
Login required2-Jul-2025/Bulk_structure/CuWO4_2/CuWO4_110_surface_defects/antisite_defects/W_Cu_double W_Cu_doubleBenzidi, Hindvasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complexSingle pointDFT--43208.89567897; eV
Showing results 8386 to 8405 of 93567 < previous   next >