Path-integral simulation of pure water☆
作者： A. Wallqvist , B.J. Berne
DOI: 10.1016/0009-2614(85)80206-2
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摘要: Abstract Path-integral techniques are used to study the quantum effects on translational degrees of freedom both liquid water at 300 K and small clustrs ( n = 1,2,3) 100 K. Quantum structural but consistent for water, whereas significant observed in clusters.
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