Nitrogen Rings and Cages Stabilized by Metallic Atoms
Abstract
Over the last four years, our research has been focused on the prediction of new molecular species. The initial aim of this project was to study on paper new nitrogen compounds that were stabilized by metal centers. We did not find any new attractive nitrogen species. However, the algorithms developed during this project are universal and allow us to study other interesting chemical systems like silicon-lithium clusters. Particularly, we developed two new techniques, the first one is a new way to calculate a fukui function, the second one is a genetic algorithm to search for global minimum species. This AFOSR project funded directly three publications in some of the most important journals in the chemical community, such as J. Am. Chem . Soc., J. Chem. Phys., and Organometallics. Two more manuscripts are in progress. On the other hand, two posdoc positions were financed by this project.
Document Details
- Document Type
- Technical Report
- Publication Date
- Dec 18, 2009
- Accession Number
- ADA514918
Entities
People
- America Bravo
- Cristina Santiago
- Francisco Tenorio
- Gabriel Merino
- Kristel Garcia
- Manuel Villanueva
- Oscar Jimenez-halla
Organizations
- Universidad de Guanajuato