Sigma: Difference between revisions
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Revision as of 13:32, 29 May 2012
Overview
This module calculates the Hammett electronic substituent constant (s, sigma) for selected fragments of a molecule, or substituents.
Interface
- Click and drag the mouse cursor in the Structure pane to select a fragment of a structure. The selected fragment is highlighted in blue.
- Calculated the Hammett electronic substituent constant (s, sigma) for the selected fragment.