Effects of Translational and Rotational Degrees of Freedom on the Hydration of Ionic Solutes as Seen by Popular Water Models
We employed molecular dynamics simulations with separate thermostats for translational and rotational temperatures in order to study the effects of these degrees of freedom on the hydration of ions. In this work we examine how water models, differing in charge distribution, respond to rise of the ro...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Slovenian Chemical Society
2015-04-01
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| Series: | Acta Chimica Slovenica |
| Subjects: | |
| Online Access: | https://journals.matheo.si/index.php/ACSi/article/view/1291 |