Magee, James E. and Lue, Leo and Curtis, Robin A. (2008) Density of states for a short overlapping-bead polymer: Clues to a mechanism for helix formation? Physical Review E, 78 (3). 031803. ISSN 1539-3755
Full text not available in this repository. (Request a copy from the Strathclyde author)Abstract
The densities of states are evaluated for very short chain molecules made up of overlapping monomers, using a model which has previously been shown to produce helical structure. The results of numerical calculations are presented for tetramers and pentamers. We show that these models demonstrate behaviors relevant to the behaviors seen in longer, helix-forming chains, particularly "magic numbers" of the overlap parameter, where the derivatives of the densities of states change discontinuously, and a region of bimodal energy probability distributions, reminiscent of a first-order phase transition in a bulk system.
| Item type: | Article |
|---|---|
| ID code: | 27975 |
| Keywords: | electronic density of states, macromolecules, molecular biophysics, molecular configurations, polymers, polymorphic transformations, Physical and theoretical chemistry, Physics |
| Subjects: | Science > Chemistry > Physical and theoretical chemistry Science > Physics |
| Department: | Faculty of Engineering > Chemical and Process Engineering |
| Related URLs: | |
| Depositing user: | Dr Leo Lue |
| Date Deposited: | 13 Oct 2010 15:21 |
| Last modified: | 12 Mar 2012 11:20 |
| URI: | http://strathprints.strath.ac.uk/id/eprint/27975 |
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