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 |
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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