1. Institute of Chemical Research of Catalonia

Browsing by Subject Electric potential

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Showing results 1 to 20 of 44  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required24-Apr-2025/DOS Ag(111)-(3x3)-CO2-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--115.22312929; eV
Login required24-Apr-2025/DOS Au(111)-(3x3)-CO2-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--134.61693612; eV
Login required24-Apr-2025/DOS Co(0001)-(3x3)-CO2-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--257.73693964; eV
Login required24-Apr-2025/DOS Cu(111)-(3x3)-CO2-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--150.26798329; eV
Login required24-Apr-2025/DOS Fe(110)-(3x3)-CO2-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--308.96929198; eV
Login required24-Apr-2025/DOS Ir(111)-(3x3)-CO2-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--329.59281914; eV
Login required24-Apr-2025/DOS Ni(111)-(3x3)-CO2-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--211.20324103; eV
Login required24-Apr-2025/DOS Pd(111)-(3x3)-CO2-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--204.14253201; eV
Login required24-Apr-2025/DOS Pt(111)-(3x3)-CO2-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--235.77208301; eV
Login required24-Apr-2025/DOS Rh(111)-(3x3)-CO2-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--273.62237364; eV
Login required24-Apr-2025/DOS Ru(0001)-(3x3)-CO2-DOSDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--340.69519469; eV
Login required24-Apr-2025/redCO2 Ag(111)-(3x3)-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--
Login required24-Apr-2025/redCO2 Ag(111)-(3x3)-CO2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--
Login required24-Apr-2025/redCO2 Ag(111)-(3x3)-COOHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--
Login required24-Apr-2025/redCO2 Au(111)-(3x3)-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--
Login required24-Apr-2025/redCO2 Au(111)-(3x3)-CO2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--
Login required24-Apr-2025/redCO2 Au(111)-(3x3)-COOHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--
Login required24-Apr-2025/redCO2 Co(0001)-(3x3)-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--
Login required24-Apr-2025/redCO2 Co(0001)-(3x3)-CO2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--
Login required24-Apr-2025/redCO2 Co(0001)-(3x3)-COOHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--
Showing results 1 to 20 of 44  next >