Research output: Contribution to journal › Article › peer-review
Some properties of water were modeled by the method of molecular dynamics in the temperature range -50-130°C. The calculations were performed for rigid models of water molecules of two types, namely, the SPC and SPC/E three-center models and the ST2 five-center model. Temperature effects on the microstructure of water and mobility of water molecules were considered. The applicability of the models to simulate the microstructure of water in a wide temperature range was estimated.
| Translated title of the contribution | Моделирование структуры воды в широком диапазоне температур методом молекулярной динамики |
|---|---|
| Original language | English |
| Pages (from-to) | 1650-1654 |
| Number of pages | 5 |
| Journal | Russian Journal of Physical Chemistry A |
| Volume | 74 |
| Issue number | 10 |
| State | Published - 1 Oct 2000 |
ID: 51951973