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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Aug-2022HCCO_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-157635.181158; eV
thumbnail.jpeg31-Aug-2022COOH_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-157953.437627; eV
thumbnail.jpeg31-Aug-2022HCCH2_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-157100.398730; eV
thumbnail.jpeg31-Aug-2022Cu_bare_surfaceShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-156551.516807; eV
thumbnail.jpeg31-Aug-2022COH_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-157385.047609; eV
thumbnail.jpeg31-Aug-2022COCO_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-158186.318784; eV
thumbnail.jpeg31-Aug-2022CO_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-157368.994219; eV
thumbnail.jpeg31-Aug-2022CO2_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-157937.198791; eV
thumbnail.jpeg31-Aug-2022CH_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-156817.540957; eV
thumbnail.jpeg31-Aug-2022OCCO_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-158187.009634; eV
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