Sigma

From ACD Percepta
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Overview


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Features

  • Calculates the Hammett electronic substituent constant (s, sigma) for selected fragments of a molecule, or substituents
  • Calculates only inductive and resonance sigma constants (option)



Interface



  1. Click and drag the mouse cursor in the Structure pane to select a fragment of a structure. The selected fragment is highlighted in blue.
  2. Calculated the Hammett electronic substituent constant (s, sigma) for the selected fragment.



Technical information


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