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Molecular Shapes

โœ Scribed by OLLIS, W. D.


Book ID
109681080
Publisher
Nature Publishing Group
Year
1972
Tongue
English
Weight
264 KB
Volume
235
Category
Article
ISSN
0028-0836

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Molecular shapes
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In molecular simulations with periodic boundary conditions the computational box may have five different shapes: triclinic; the hexagonal prism; two types of dodecahedrons; and the truncated octahedron. In this article, we show that every molecular simulation, formulated in one of these boxes, can b