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Non-crystallographic Symmetry Interactions
If strict
non-crystallographic symmetry is imposed, the crystal symmetry interactions
cannot be computed because of nonequivalent environments (see
Chapter 18). Instead, only the
interaction between non-crystallographically related molecules is
computed using the and functional forms, i.e.,
(4.23) |
(4.24) |
Xplor-NIH 2024-09-13