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Home > News > Toward Computing Crystal Forms

August 25th, 2004

Toward Computing Crystal Forms

Abstract:
A team of scientists from Syracuse University uses periodic quantum chemical calculations to figure the limits of molecular quantum theory in describing molecular crystal properties. Chemists make many compounds that can be prepared in crystal form, three-dimensional solids arranged in a repeating pattern. The physical and chemical properties of those compounds, or crystalline solids, depend on two factors: the type of molecules that they are composed of and the arrangement of those molecules.

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