1. Institute of Chemical Research of Catalonia

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Showing results 12056 to 12075 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-COCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--199.21370733; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-COHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--187.64385923; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--175.70909274; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-O-CHCH2CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--219.65236443; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-O-CHCH2COHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--223.12457098; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-OCHCH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--205.07700281; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-OCHCH2-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--220.87573868; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-OCHCH2-COHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--223.75698695; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-OHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--179.88757118; eV
thumbnail.jpeg28-May-2022/CuAg Cu2Ag3(001)-facetDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--85.23243199; eV
thumbnail.jpeg28-May-2022/CuAg Cu2Ag3(100)-CHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--186.42597269; eV
thumbnail.jpeg28-May-2022/CuAg Cu2Ag3(100)-CH-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--201.28841550; eV
thumbnail.jpeg28-May-2022/CuAg Cu2Ag3(100)-CH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--190.68442012; eV
thumbnail.jpeg28-May-2022/CuAg Cu2Ag3(100)-CH2-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--205.74319062; eV
thumbnail.jpeg28-May-2022/CuAg Cu2Ag3(100)-CH2CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--206.31457311; eV
thumbnail.jpeg28-May-2022/CuAg Cu2Ag3(100)-CH3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--195.14505274; eV
thumbnail.jpeg28-May-2022/CuAg Cu2Ag3(100)-CH3-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--210.21021972; eV
thumbnail.jpeg28-May-2022/CuAg Cu2Ag3(100)-CH3CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--210.37017582; eV
thumbnail.jpeg28-May-2022/CuAg Cu2Ag3(100)-CHCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--203.34350559; eV
thumbnail.jpeg28-May-2022/CuAg Cu2Ag3(100)-CHODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--194.71051343; eV
Showing results 12056 to 12075 of 63196 < previous   next >