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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Mar-2021/electric-field Cu(100)-8x2-14CO-8T6B-el-0_20Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--441.89064353; eV
thumbnail.jpeg12-Mar-2021/C-C-coupling Cu(100)-3sqrt2x3sqrt2-NEB-COtCOt-1Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--351.96048493; eV
thumbnail.jpeg12-Mar-2021/C-C-coupling Cu(100)-3sqrt2x3sqrt2-NEB-COtCOt-2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--352.01555108; eV
thumbnail.jpeg12-Mar-2021/C-C-coupling Cu(100)-3sqrt2x3sqrt2-NEB-COtCOt-3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--351.96070415; eV
thumbnail.jpeg12-Mar-2021/electric-field Cu(100)-3sqrt2xsqrt2-Clean-el-0_20Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--83.98304532; eV
thumbnail.jpeg12-Mar-2021/electric-field Cu(100)-3sqrt2xsqrt2-Clean-el-0_40Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--84.09353969; eV
thumbnail.jpeg12-Mar-2021/electric-field Cu(100)-2sqrt2xsqrt2-Clean-el-0_60Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--56.10796959; eV
thumbnail.jpeg12-Mar-2021/electric-field Cu(100)-2sqrt2xsqrt2-Clean-el-0_40Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--55.98390951; eV
thumbnail.jpeg12-Mar-2021/electric-field Cu(100)-2x2-Clean-el-0_60Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--56.18709110; eV
thumbnail.jpeg12-Mar-2021/electric-field Cu(100)-2x2-Clean-el-0_20Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--55.98971288; eV
Results 191-200 of 221 (Search time: 0.002 seconds).