36 Result(s)

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...

A. J. Mott, S. P. Thirumuruganandham, M. F. Thorpe, P. Rez in European Biophysics Journal (2013)

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 properties^1,2. There have been considerable efforts to synt...

Asel Sartbaeva, Stephen A. Wells, M. M. J. Treacy, M. F. Thorpe in Nature Materials (2006)

Chapter

Layer Rigidity in Intercalation Compounds

M. F. Thorpe, S. A. Solin in Access in Nanoporous Materials (2002)

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...

M.F. Thorpe, D.J. Jacobs, N.V. Chubynsky, A.J. Rader in Rigidity Theory and Applications (2002)

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...

M. F. Thorpe, V. A. Levashov, M. Lei… in From Semiconductors to Proteins: Beyond th… (2002)

Chapter

Advances in Pair Distribution Profile Fitting in Alloys

M. F. Thorpe, J. S. Chung, S. J. L. Billinge… in Local Structure from Diffraction (2002)

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...

M. F. Thorpe, M. V. Chubynsky, D. J. Jacobs, J. C. Phillips in Glass Physics and Chemistry (2001)

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...

M.F. Thorpe, M.V. Chubynsky in Phase Transitions and Self-Organization in… (2001)