1. Institute of Chemical Research of Catalonia

Browsing by Subject Surface strain

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Showing results 1 to 20 of 685  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Apr-2023/DOS Cu(100)-2AD-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--132.71943373; eV
thumbnail.jpeg13-Apr-2023/DOS Cu(100)-4AD-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--139.95477888; eV
thumbnail.jpeg13-Apr-2023/DOS Cu(100)-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--125.91437528; eV
thumbnail.jpeg13-Apr-2023/DOS Cu(110)-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--119.63857881; eV
thumbnail.jpeg13-Apr-2023/DOS Cu(111)-2AD-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--134.72954258; eV
thumbnail.jpeg13-Apr-2023/DOS Cu(111)-3AD-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--138.21648506; eV
thumbnail.jpeg13-Apr-2023/DOS Cu(111)-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--128.44571311; eV
thumbnail.jpeg13-Apr-2023/DOS Cu(211)-2AD-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--145.55202684; eV
thumbnail.jpeg13-Apr-2023/DOS Cu(211)-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--139.38943696; eV
thumbnail.jpeg13-Apr-2023/DOS Cu(310)-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--98.05606631; eV
thumbnail.jpeg13-Apr-2023/DOS Cu(533)-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--224.82693907; eV
thumbnail.jpeg13-Apr-2023/DOS Cu(711)-2AD-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--175.66268582; eV
thumbnail.jpeg13-Apr-2023/DOS Cu(711)-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--169.00933387; eV
thumbnail.jpeg13-Apr-2023/DOS OD-Cu-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--1874.40066090; eV
thumbnail.jpeg10-Jul-2022/frequencies frq-Cu(100)-p(3x3)-CHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--332.57829967; eV
thumbnail.jpeg10-Jul-2022/frequencies frq-Cu(100)-p(3x3)-CHODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--339.36861887; eV
thumbnail.jpeg10-Jul-2022/frequencies frq-Cu(100)-p(3x3)-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--336.29953355; eV
thumbnail.jpeg10-Jul-2022/frequencies frq-Cu(100)-p(3x3)-CO2CO2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--366.51091479; eV
thumbnail.jpeg10-Jul-2022/frequencies frq-Cu(100)-p(3x3)-CO3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--350.93344411; eV
thumbnail.jpeg10-Jul-2022/frequencies frq-Cu(100)-p(3x3)-COCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexFrequenciesDFT--351.20212925; eV
Showing results 1 to 20 of 685  next >