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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Jul-2018/1butyne/Pt/100/1H C4H6Navarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--304.97430242; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pt/100/1H C4H6toC4H7NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--304.04533399; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pt/100/1H C4H6toC4H7TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--304.06699829; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pt/100/1H C4H7NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--303.99858076; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pt/100/1H C4H7NT+HNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--308.01899742; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pt/100/1H C4H7NT+HtoC4H8NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--306.84348657; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pt/100/1H C4H7TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--304.10770685; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pt/100/1H C4H7T+HNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--308.12208574; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pt/100/1H C4H7T+HtoC4H8TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--307.11150216; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pt/100/1H C4H8NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--307.84845337; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pt/100/1H C4H8TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--307.83151494; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pt/100/8H C4H6Navarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--330.72888409; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pt/100/8H C4H6toC4H7NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--330.58943400; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pt/100/8H C4H6toC4H7TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--330.69518792; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pt/100/8H C4H7NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--331.47438415; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pt/100/8H C4H7NTtoC4H8NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--330.91161318; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pt/100/8H C4H7TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--331.59411703; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pt/100/8H C4H7TtoC4H8TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexFrequenciesDFT--330.78934856; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pt/100/8H C4H8NTNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--331.62711811; eV
thumbnail.jpeg23-Jul-2018/1butyne/Pt/100/8H C4H8TNavarro-Ruiz, Javier; Cornu, Damienvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complexGeometry optimizationDFT--331.58209126; eV