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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Jul-2018/Isobutene/Ni/111/1H C4H9TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--316.26681493; eV
thumbnail.jpeg23-Jul-2018/trans2butene/Pd/111/1H C4H8Navarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--294.96508847; eV
thumbnail.jpeg23-Jul-2018/trans2butene/Pd/111/1H C4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--294.58359996; eV
thumbnail.jpeg23-Jul-2018/trans2butene/Pd/111/9H C4H8toC4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequenciesDFT--324.86994593; eV
thumbnail.jpeg23-Jul-2018/trans2butene/Pd/111/9H C4H8Navarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--325.59647643; eV
thumbnail.jpeg23-Jul-2018/trans2butene/Pd/111/9H C4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--325.29152984; eV
thumbnail.jpeg23-Jul-2018/trans2butene/Pt/100/1H C4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--299.10687387; eV
thumbnail.jpeg23-Jul-2018/trans2butene/Pt/100/1H C4H8toC4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--298.97225142; eV
thumbnail.jpeg23-Jul-2018/trans2butene/Pt/100/1H C4H8Navarro-Ruiz, Javier; Cornu, Damienvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--299.92159666; eV
thumbnail.jpeg23-Jul-2018/trans2butene/Pt/100/8H C4H8toC4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--326.57323133; eV
Results 61-70 of 673 (Search time: 0.001 seconds).