Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 116, Issue 23, Pages 10372-10376Publisher
AMER INST PHYSICS
DOI: 10.1063/1.1473659
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New Car-Parrinello molecular dynamics simulations of the structural and dynamical properties of liquid water are reported. The calculated radial distribution functions are in excellent agreement with most recent both x-ray and neutron diffraction scattering experiments. The simulated self-diffusion properties are also in good agreement with experimental data. (C) 2002 American Institute of Physics.
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