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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Sep-2022/L-cys_adsorption/High_coverage (520)-L-cysMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--337.03465212; eV
thumbnail.jpeg6-Sep-2022/L-cys_adsorption/High_coverage (521)-L-cysMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--329.44425662; eV
thumbnail.jpeg6-Sep-2022/L-cys_adsorption/High_coverage (52-1)-L-cysMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--329.42749191; eV
thumbnail.jpeg6-Sep-2022/Au(520)_reconstructions Rec2Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--174.62419662; eV
thumbnail.jpeg6-Sep-2022/Au(520)_reconstructions Rec1Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--174.88544386; eV
thumbnail.jpeg6-Sep-2022/Au(520)_reconstructions Rec4Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--174.59978803; eV
thumbnail.jpeg6-Sep-2022/Au(520)_reconstructions Rec3Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--174.60019885; eV
thumbnail.jpeg6-Sep-2022/Au(520)_reconstructions Rec5Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--174.62478921; eV
thumbnail.jpeg6-Sep-2022/Au(520)_reconstructions Rec6Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--174.58884162; eV
thumbnail.jpeg6-Sep-2022/Au_vacancies Au(111)_1vacMorales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--222.45007737; eV
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