Transferable Atom Equivalents
A library of atomic charge density fragments has been built in a form that allows for the rapid retrieval of the fragments and molecular assembly.
Atoms in the library correspond to structurally distinct atom types
Associated with each atomic charge density fragment in the TAE library are a set of descriptors.
The atomic descriptors in the TAE library are calculated ab initio at a high level of theory (HF 6-31+G*)