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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Sep-2026/Cu_100/planar/OH_bridge/freq freqDíaz López, Estefaníavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexFrequenciesDFT--394.35975036; eV
Login required10-Sep-2026/Cu_100/cation+4OH/Cs+3_H2O_ Cs+3_H2O_Díaz López, Estefaníavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--473.67653369; eV
Login required10-Sep-2026/Cu_100/reconstructed/OH_fcc_2 OH_fcc_2Díaz López, Estefaníavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--393.24147777; eV
Login required10-Sep-2026/Cu_100/cation+4OH/Cs+3_H2O_/freq freqDíaz López, Estefaníavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexFrequenciesDFT--473.67653547; eV
Login required10-Sep-2026/Cu_100/reconstructed/OH_top_i/freq freqDíaz López, Estefaníavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexFrequenciesDFT--393.17536154; eV
Login required10-Sep-2026/Cu_111/reconstructed/OH_hcp_2/freq freqDíaz López, Estefaníavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexFrequenciesDFT--329.30857127; eV
Login required10-Sep-2026/Cu_100/planar/4Cu_adatom 4Cu_adatomDíaz López, Estefaníavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--398.88938086; eV
Login required10-Sep-2026/Cu_100/cation+4OH cation+4OHDíaz López, Estefaníavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--426.63839402; eV
Login required10-Sep-2026/Cu_111/planar/OH_hcp/freq freqDíaz López, Estefaníavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexFrequenciesDFT--331.12769501; eV
Login required10-Sep-2026/Cu_100/planar/alone aloneDíaz López, Estefaníavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--383.46456204; eV
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