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Effects of translational and rotational degrees of freedom on the properties of model water
Molecular dynamics simulations with separate thermostats for rotational and translational motions were used to study the effects of these degrees of freedom on the structure of water at a fixed density. To describe water molecules, we used the SPC/E model. The results indicate that an increase of th...
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| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Інститут фізики конденсованих систем НАН України
2015
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| Series: | Condensed Matter Physics |
| Online Access: | http://dspace.nbuv.gov.ua/handle/123456789/153525 |
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