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Please use this identifier to cite or link to this collection: DOI: 10.19061/iochem-bd-1-38

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Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 77
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Jul-2017/Deacon/VI finalHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexGeometry optimization---894.33255620; eV
thumbnail.jpeg13-Jul-2017/Deacon/VI transitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexFrequencies---894.27656358; eV
thumbnail.jpeg13-Jul-2017/Deacon/VI initialHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexGeometry optimization---894.44447690; eV
thumbnail.jpeg13-Jul-2017/Deacon/V initialHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexGeometry optimization---889.63593506; eV
thumbnail.jpeg13-Jul-2017/Deacon/V finalHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexGeometry optimization---889.65320342; eV
thumbnail.jpeg13-Jul-2017/Deacon/V transitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexFrequencies---889.29795827; eV
thumbnail.jpeg13-Jul-2017/Deacon/II finalHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---890.79132776; eV
thumbnail.jpeg13-Jul-2017/Deacon/II initialHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---890.04922836; eV
thumbnail.jpeg13-Jul-2017/Deacon/II transitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexFrequencies---889.79748315; eV
thumbnail.jpeg18-May-2017transitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---904.73057174; eV
thumbnail.jpeg18-May-2017transitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---917.16413474; eV
thumbnail.jpeg18-May-2017transitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---917.02184208; eV
thumbnail.jpeg18-May-2017transitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---899.99420481; eV
thumbnail.jpeg18-May-2017transitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---916.86230775; eV
thumbnail.jpeg18-May-2017transitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies---917.87803918; eV
thumbnail.jpeg18-May-2017transitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexFrequencies---914.12274770; eV
thumbnail.jpeg18-May-2017transitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---915.40155707; eV
thumbnail.jpeg18-May-2017transitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexFrequencies---913.33717279; eV
thumbnail.jpeg18-May-2017transitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---915.44135236; eV
thumbnail.jpeg18-May-2017transitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies---915.35944700; eV
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 77
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