Characterization of Bonding Interactions by Density Functional Theory in Stable O[subscript]4 Complexes
File(s)
Date
2012-04Author
McAnally, Michael O.
Advisor(s)
Boulter, James E.
Phillips, James A.
Metadata
Show full item recordAbstract
Attempts at characterizing the bonding interactions in oxygen species become complex for molecules larger than O[subscript]2. A set of chemically stable O[subscript]4 compounds has been predicted using computationally expensive models, but in-depth studies of electronic configuration have been limited. This study presents an intensive examination of electronic structure.
Subject
Electron configuration
Electronic structure
Molecular structure--Measurement
Density functionals
Catalysis
Active oxygen
Posters
Permanent Link
http://digital.library.wisc.edu/1793/62216Description
Color poster with text, diagrams, and tables.