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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Jul-2018/cis2butene/Ni/111/1H C4H8toC4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequenciesDFT--303.51337320; eV
thumbnail.jpeg23-Jul-2018/cis2butene/Ni/111/1H C4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--303.38467883; eV
thumbnail.jpeg23-Jul-2018/cis2butene/Ni/111/9H C4H8Navarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--334.93838464; eV
thumbnail.jpeg23-Jul-2018/cis2butene/Ni/111/9H C4H8toC4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--333.91320961; eV
thumbnail.jpeg23-Jul-2018/cis2butene/Ni/111/9H C4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--334.56366869; eV
thumbnail.jpeg23-Jul-2018/cis2butene/Pd/100/1H C4H8Navarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--266.70643935; eV
thumbnail.jpeg23-Jul-2018/cis2butene/Pd/100/1H C4H8toC4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequenciesDFT--265.95090895; eV
thumbnail.jpeg23-Jul-2018/cis2butene/Pd/100/1H C4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--266.35936150; eV
thumbnail.jpeg23-Jul-2018/cis2butene/Pd/100/8H C4H8Navarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--293.68826490; eV
thumbnail.jpeg23-Jul-2018/cis2butene/Pd/100/8H C4H8toC4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--292.90931166; eV
thumbnail.jpeg23-Jul-2018/cis2butene/Pd/100/8H C4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--293.46580671; eV
thumbnail.jpeg23-Jul-2018/cis2butene/Pd/111/1H C4H8Navarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--294.92543375; eV
thumbnail.jpeg23-Jul-2018/cis2butene/Pd/111/1H C4H8toC4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--294.10899787; eV
thumbnail.jpeg23-Jul-2018/cis2butene/Pd/111/1H C4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--294.60397388; eV
thumbnail.jpeg23-Jul-2018/cis2butene/Pd/111/9H C4H8Navarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--325.65456625; eV
thumbnail.jpeg23-Jul-2018/cis2butene/Pd/111/9H C4H8toC4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequenciesDFT--324.74687915; eV
thumbnail.jpeg23-Jul-2018/cis2butene/Pd/111/9H C4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--325.33976821; eV
thumbnail.jpeg23-Jul-2018/cis2butene/Pt/100/1H C4H8Navarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--299.91740451; eV
thumbnail.jpeg23-Jul-2018/cis2butene/Pt/100/1H C4H8toC4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequenciesDFT--298.91614523; eV
thumbnail.jpeg23-Jul-2018/cis2butene/Pt/100/1H C4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--299.05318940; eV