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Article
Fast calculation of the infrared spectra of large biomolecules
Vibrational spectra of proteins potentially give insight into biologically significant molecular motion and the proportions of different types of secondary structure. Vibrational spectra can be calculated eith...
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Article
The flexibility window in zeolites
Today synthetic zeolites are the most important catalysts in petrochemical refineries because of their high internal surface areas and molecular-sieving properties1,2. There have been considerable efforts to synt...
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Book Series
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Chapter
Layer Rigidity in Intercalation Compounds
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Chapter
Generic Rigidity of Network Glasses
In this paper, we have tried to collect together some of the more important results regarding floppy modes and constraint counting in glasses that have emerged in the past decade. This work has provided a usef...
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Chapter
Notes on the Analysis of Data for Pair Distribution Functions
In these notes, we collect together some results that we have found useful in the analysis of data for the Pair Distribution Function (PDF). This work is rather general, and we illustrate the results with exam...
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Chapter
Advances in Pair Distribution Profile Fitting in Alloys
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Article
Non-Randomness in Network Glasses and Rigidity
The continuous random network model is widely used as a realistic description of the structure of covalent glasses and amorphous solids. We point out that, in real glasses and amorphous materials, there are no...
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Book
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Book
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Chapter
The Intermediate Phase and Self-organization in Network Glasses
We have discussed the rigidity of random and self-organized networks. We find that there is a single transition from floppy to rigid in random networks, but an intermediate phase intervenes in the self-organiz...