1. Institute of Chemical Research of Catalonia

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Showing results 22839 to 22858 of 62999 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Jul-2018/Isobutene/Pd/100/8H C4H8Navarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--306.07564497; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pd/100/8H C4H8toC4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--305.21885070; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pd/100/8H C4H8toC4H9TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--305.44635781; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pd/100/8H C4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--305.93211769; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pd/100/8H C4H9NTtoC4H10NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--305.40967028; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pd/100/8H C4H9TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--306.06055976; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pd/100/8H C4H9TtoC4H10TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--305.31259030; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pd/111/1H C4H10NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--312.39665698; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pd/111/1H C4H10TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--312.39633811; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pd/111/1H C4H8Navarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--308.69324808; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pd/111/1H C4H8toC4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--307.78990026; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pd/111/1H C4H8toC4H9TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--307.94176902; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pd/111/1H C4H9NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--308.33558144; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pd/111/1H C4H9NT+HNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--312.20551558; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pd/111/1H C4H9NT+HtoC4H10NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--311.71112697; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pd/111/1H C4H9TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--308.53497303; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pd/111/1H C4H9T+HNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--312.33821242; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pd/111/1H C4H9T+HtoC4H10TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--311.60092490; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pd/111/9H C4H10NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--340.04291024; eV
thumbnail.jpeg23-Jul-2018/Isobutene/Pd/111/9H C4H10TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--339.77935747; eV
Showing results 22839 to 22858 of 62999 < previous   next >