| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383149 | Chemical Physics Letters | 2012 | 4 Pages |
Abstract
⺠H-bond dynamics and tetrahedral order for SPC/E, TIP4P-Ew, TIP5P-Ew and Six-Site water. ⺠Explicit lone pairs sites favor tetrahedral order and slowdown dynamics at low T. ⺠Difference between models with and without lone pairs is very important at low T.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Rodolfo Guillermo Pereyra, Aleida J. Bermúdez di Lorenzo, David C. Malaspina, Marcelo A. Carignano,