Nomenclature and Terminology

This section summarizes the naming conventions that are used throughout this document. Some of the terminology has already been described in the previous section. Since the nomenclature describing the link bonds can be somewhat confusing we recommend that special attention be given to this section.

Full QM/MM system vs. QM model system
Link bonds and capping atoms
QM, MM and LI atom types
Atom types
QM/MM type or QM/MM atom type (MM, QM or LI)
Force Field atom type
ADF atoms or ADF fragments

 

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