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Articles by Simon Bates, Ph.D.

Simon Bates, Ph.D.


Amorphous Local Structure and Property Prediction
August 28, 2012

Characterization of a variety of X-ray amorphous materials has shown that different types of local molecular order can exist for organic systems. In silico energy minimization can give potential local structures that might exist in the amorphous state. This approach is efficient, and useful for determining properties such as stability and local molecular order which can aid manufacturing and intellectual property considerations.

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