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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Apr-2020cu-11eDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--27.20202715; eV
thumbnail.jpeg15-Aug-2020/NEB NEB-4R-red-OCCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--1873.02786210; eV
thumbnail.jpeg15-Aug-2020/NEB NEB-4R-red-glyoxylateDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyGeometry optimizationDFT--1872.13000943; eV
thumbnail.jpeg15-Aug-2020/NEB freq-Cu(100)-OCCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexFrequenciesDFT--349.65738701; eV
thumbnail.jpeg15-Aug-2020/NEB freq-4R-red-glyoxylateDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyFrequenciesDFT--1872.52717184; eV
thumbnail.jpeg15-Aug-2020/Vibrational-modes freq-CO3-11Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyFrequenciesDFT--1852.64379268; eV
thumbnail.jpeg15-Aug-2020/Vibrational-modes freq-CO3-12Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyFrequenciesDFT--1851.93884441; eV
thumbnail.jpeg15-Aug-2020/Vibrational-modes freq-CO3-10Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyFrequenciesDFT--1852.53531647; eV
thumbnail.jpeg15-Aug-2020/Vibrational-modes freq-CO3-1Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyFrequenciesDFT--1865.62622190; eV
thumbnail.jpeg15-Aug-2020/Vibrational-modes freq-CO3-9Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-onlyFrequenciesDFT--1852.25567298; eV
Results 1-10 of 25 (Search time: 0.002 seconds).