Molecular Dynamics and Hytdrogen Bonds in water
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The results of an extensive set of molecular dynamics simulations of the SPC/E water model are described. The states examined cover a range of densities from greater than ambient at 1200 kg/m<SUP>3</SUP> to states near the critical density at 300 kg/m<SUP>3</SUP> and over a range of temperatures from 297 K to 823 K. The emphasis is on hydrogen bonding measures and how these measures vary with density and temperature. The mean number of bonds per molecule, the distribution of the lifetimes of the bonds and the size of hydrogen bonded clusters are reported.
- The Review of High Pressure Science and Technology
The Review of High Pressure Science and Technology 7, 1106-1111, 1998
The Japan Society of High Pressure Science and Technology