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Atomic Properties

The comptational methods used and the guide for accessing the atomic properties in PFAS Studio V.

The following atomic properties are available within PFAS Studio V:

  1. Mulliken Partial Charges

  2. Fukui Indices:

    1. f0f_0

    2. f+f_+

    3. f−f_{-}

To access the properties, click on the Atomic header in the property tree:

Atomic property selection

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