RuO2_C2H4_Oxychlorination

CC-BY-4.0

Please use this identifier to cite or link to this collection: doi:10.19061/iochem-bd-1-38
PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpeg/Deacon/VI finalHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexGeometry optimization----894.33255620; eV
thumbnail.jpeg/Deacon/VI transitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexFrequencies----894.27656358; eV
thumbnail.jpeg/Deacon/VI initialHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexGeometry optimization----894.44447690; eV
thumbnail.jpeg/Deacon/V initialHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexGeometry optimization----889.63593506; eV
thumbnail.jpeg/Deacon/V finalHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexGeometry optimization----889.65320342; eV
thumbnail.jpeg/Deacon/V transitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexFrequencies----889.29795827; eV
thumbnail.jpeg/Deacon/II finalHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization----890.79132776; eV
thumbnail.jpeg/Deacon/II initialHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization----890.04922836; eV
thumbnail.jpeg/Deacon/II transitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexFrequencies----889.79748315; eV
thumbnail.jpegtransitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies----904.73057174; eV
thumbnail.jpegtransitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies----917.16413474; eV
thumbnail.jpegtransitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies----917.02184208; eV
thumbnail.jpegtransitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies----899.99420481; eV
thumbnail.jpegtransitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies----916.86230775; eV
thumbnail.jpegtransitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complexFrequencies----917.87803918; eV
thumbnail.jpegtransitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexFrequencies----914.12274770; eV
thumbnail.jpegtransitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies----915.40155707; eV
thumbnail.jpegtransitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexFrequencies----913.33717279; eV
thumbnail.jpegtransitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies----915.44135236; eV
thumbnail.jpegtransitionHigham, Michaelvasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexFrequencies----915.35944700; eV
Collection's Items (Sorted by in order): 1 to 20 of 77
RSS Feed RSS Feed RSS Feed

Discover

Stoichiometry
Program name