1. Institute of Chemical Research of Catalonia

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Showing results 1035 to 1054 of 63063 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Jul-2018/1butyne/Pd/100/1H C4H7NT+HNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--274.88292509; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/100/1H C4H7NT+HtoC4H8NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--274.04526776; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/100/1H C4H7TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--271.09645721; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/100/1H C4H7T+HNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--275.00014792; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/100/1H C4H7T+HtoC4H8TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--274.16140727; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/100/1H C4H8NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--275.05683823; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/100/1H C4H8TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--275.05816362; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/100/8H C4H6Navarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--298.01984354; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/100/8H C4H6toC4H7NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--297.23631723; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/100/8H C4H6toC4H7TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--297.23687239; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/100/8H C4H7NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--297.63323900; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/100/8H C4H7NTtoC4H8NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--296.69684773; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/100/8H C4H7TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--297.73135876; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/100/8H C4H7TtoC4H8TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--296.75276891; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/100/8H C4H8NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--298.02440995; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/100/8H C4H8TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--298.03429040; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/111/1H C4H6Navarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--300.78864050; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/111/1H C4H6toC4H7NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--299.76001021; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/111/1H C4H6toC4H7TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--299.79043423; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/111/1H C4H7NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--300.39336013; eV
Showing results 1035 to 1054 of 63063 < previous   next >