Show/Hide Menu
Hide/Show Apps
anonymousUser
Logout
Türkçe
Türkçe
Search
Search
Login
Login
OpenMETU
OpenMETU
About
About
Açık Bilim Politikası
Açık Bilim Politikası
Frequently Asked Questions
Frequently Asked Questions
Browse
Browse
By Issue Date
By Issue Date
Authors
Authors
Titles
Titles
Subjects
Subjects
Communities & Collections
Communities & Collections
Isomers and saddle point configurations of small AI clusters
Date
1989-5
Author
Halicioglu, T.
Pamuk, H.O.
Metadata
Show full item record
This work is licensed under a
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
.
Item Usage Stats
10
views
0
downloads
A model potential energy function fitted to high level ab initio results is used for the first time to calculate saddle point configurations and energies between low lying structures of Al4, Al5 and Al6. For these clusters, energy barriers for structural isomerizations were found to vary in height. In general, barriers between high-symmetry equilibrium structures are low indicating that for those cases isomerization reactions in the gas phase may take place at lower temperatures. On the other hand, calculations indicate that barriers between two- and three-dimensional forms are high which may affect the equilibration process in the gas phase.
URI
https://hdl.handle.net/11511/51772
Journal
Surface Science
DOI
https://doi.org/10.1016/0039-6028(89)90714-0
Collections
Department of Chemistry, Article