1. Barcelona Supercomputing Center

Browsing by Author Shin, Seung-Jae

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Showing results 1 to 20 of 26  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Aug-2022Ag_CO2_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-233426.431403; eV
thumbnail.jpeg31-Aug-2022Ag_CO_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-232858.457704; eV
thumbnail.jpeg31-Aug-2022Ag_COOH_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-233442.715024; eV
thumbnail.jpeg31-Aug-2022C_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-156800.779079; eV
thumbnail.jpeg31-Aug-2022CC_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-157051.326588; eV
thumbnail.jpeg31-Aug-2022CC_H_OH_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-157651.926811; eV
thumbnail.jpeg31-Aug-2022CCH2_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-157084.084796; eV
thumbnail.jpeg31-Aug-2022CCH_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-157067.878782; eV
thumbnail.jpeg31-Aug-2022CCO_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-157619.326519; eV
thumbnail.jpeg31-Aug-2022CCOH_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-157635.255396; eV
thumbnail.jpeg31-Aug-2022CH_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-156817.540957; eV
thumbnail.jpeg31-Aug-2022CO2_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-157937.198791; eV
thumbnail.jpeg31-Aug-2022CO_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-157368.994219; eV
thumbnail.jpeg31-Aug-2022COCO_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-158186.318784; eV
thumbnail.jpeg31-Aug-2022COH_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-157385.047609; eV
thumbnail.jpeg31-Aug-2022COOH_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-157953.437627; eV
thumbnail.jpeg31-Aug-2022Cu_bare_surfaceShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-156551.516807; eV
thumbnail.jpeg31-Aug-2022H2CCHO_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-157667.798640; eV
thumbnail.jpeg31-Aug-2022HCCH2_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-157100.398730; eV
thumbnail.jpeg31-Aug-2022HCCHO_adsorbateShin, Seung-JaeQuantumEspresso; 6.3Single pointSLA PW PBX PBCPAW-157651.876595; eV
Showing results 1 to 20 of 26  next >