Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5380069 | Chemical Physics Letters | 2015 | 7 Pages |
Abstract
- The topologies of the energy surfaces of (H2O)7â and (H2O)8â are investigated.
- Reaction pathways for the formation of (H2O)7â and (H2O)8â clusters are studied.
- One-electron polarization model with Gaussian type basis set is adopted.
- Four low-energy AA isomers of (H2O)7â are newly identified.
- In (H2O)8â, electron binding energies for non-AA and AA isomers are similar.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Byong-kyu Shin, Tae Hoon Choi,