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Role of Electrostatic Interactions in Determining the Crystal Structures of Polar Organic Molecules. A Distributed Multipole Study

✍ Scribed by Coombes, David S.; Price, Sarah L.; Willock, David J.; Leslie, Maurice


Book ID
121433107
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
650 KB
Volume
100
Category
Article
ISSN
0022-3654

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## Abstract Stabilization energies of crystals of polar molecules were calculated with the recently developed NDDO‐SCMP method that determines the wave function of a subunit embedded in the symmetrical environment constituted by the copies of the subunit. The total stabilization energies were decom