Hydrodehalogenation

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The original dataset source can be reviewed here
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-1-228
PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/opt/intermediates/Co/CH3F hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--269.84798506; eV
thumbnail.jpeg/opt/intermediates/Co/CH3F topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--269.94778703; eV
thumbnail.jpeg/opt/intermediates/Co/CH3I briPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--268.00389278; eV
thumbnail.jpeg/opt/intermediates/Co/CH3I fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--267.88855420; eV
thumbnail.jpeg/opt/intermediates/Co/CH3I hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--267.98138652; eV
thumbnail.jpeg/opt/intermediates/Co/CH3I topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--267.93818957; eV
thumbnail.jpeg/opt/intermediates/Co/CHCl fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--260.65221256; eV
thumbnail.jpeg/opt/intermediates/Co/CHCl hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--260.72409377; eV
thumbnail.jpeg/opt/intermediates/Co/CHF fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--262.12624194; eV
thumbnail.jpeg/opt/intermediates/Co/CHF hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--262.21446774; eV
thumbnail.jpeg/opt/intermediates/Co/CI fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--256.24075017; eV
thumbnail.jpeg/opt/intermediates/Co/CI hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--256.43535168; eV
thumbnail.jpeg/opt/intermediates/Co/CI topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--254.78721076; eV
thumbnail.jpeg/opt/intermediates/Co/Cl fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--249.84614310; eV
thumbnail.jpeg/opt/intermediates/Co/Cl hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--249.86742470; eV
thumbnail.jpeg/opt/intermediates/Co/Cl topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--249.34294332; eV
thumbnail.jpeg/opt/intermediates/Co/F fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--250.71944789; eV
thumbnail.jpeg/opt/intermediates/Co/F hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--250.79079660; eV
thumbnail.jpeg/opt/intermediates/Co/F topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--250.34006974; eV
thumbnail.jpeg/opt/intermediates/Co/I fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexDFT--249.26321108; eV
Collection's Items (Sorted by in order): 21 to 40 of 574
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