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[" Supplementary Material (ESI) for Physical Chemistry Chemical Physics"]
[" This journal is (c) The Royal Society of Chemistry 2011"]
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[]
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[]
["Supplementary Material",null,null,"Frequencies and absolute intensities of the vibrational modes of the studied FESs obtained using the B3LYP/6-31G**  level of theory"]
[]
["The frequencies presented here are non-scaled and were picked up directly form the Gaussian's output files. Then these frequencies were scaled for the manuscript using the expression:  scal = 0.977   calc + 11.664 cm-1"]
["Gaussian03 gives the abslute intensities in Km/mol. Note that cm molecule-1 = 10-5 Na km mol-1 ≈ 6.022x1018 Km mol-1"]

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[" Supplementary Material (ESI) for Physical Chemistry Chemical Physics"]
[" This journal is (c) The Royal Society of Chemistry 2011"]
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