1. Institute of Chemical Research of Catalonia

Browsing by Title

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 1051 to 1070 of 63063 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg23-Jul-2018/1butyne/Pd/111/1H C4H7NT+HNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--304.33943966; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/111/1H C4H7NT+HtoC4H8NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--303.59762591; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/111/1H C4H7TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--300.35848247; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/111/1H C4H7T+HNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--304.31547860; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/111/1H C4H7T+HtoC4H8TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--303.52166160; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/111/1H C4H8NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--304.64013870; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/111/1H C4H8TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--304.65492318; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/111/9H C4H6Navarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--330.92813736; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/111/9H C4H6toC4H7NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--330.20874672; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/111/9H C4H6toC4H7TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--330.19178774; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/111/9H C4H7NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--330.93588233; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/111/9H C4H7NTtoC4H8NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--330.22874933; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/111/9H C4H7TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--330.75990576; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/111/9H C4H7TtoC4H8TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--330.03170247; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/111/9H C4H8NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--331.39043017; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pd/111/9H C4H8TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--331.74140942; eV
Showing results 1051 to 1070 of 63063 < previous   next >