POSS and Metal Clusters: Structures and Energetics
Abstract
We completed work on a series of large self assembled supra-molecular complexes including a square, triangle and prism and demonstratedthat our ion mobility methods coupled with high level modeling could yield structures comparable to those obtained using x-ray diffraction.More complex systems are currently being investigated. We also completed the first phase of a new computational paradigm that allows rapidand accurate determination of cross sections from theoretical model structures. The second and final stage of the paradigm is currently nearingcompletion. This model will allow structural studies using ion mobility to be extended to arbitrarily large systems.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jan 01, 2006
- Accession Number
- AD1026498
Entities
People
- Michael T. Bowers
Organizations
- University of California