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3 An Overview of the Descriptors Calculated by PETRA

In this section, an overview is given of all descriptors and properties calculated. Each descriptor is to be found in one of the following tables. Table 1 contains all properties calculated for ensemble and molecule properties. Table 2 gives all properties calculated for bonds and table 3 those for atoms.
In Chapter 4 a description of the methods used is given where you can find detailed information on the foundations of the calculation procedures. In the column "Further informations" a shortcut to the respective page is given.

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