Agreement between the gelation and molecular dynamics models of the hydrogen-bond network in water

Bagchi, Biman ; Donoghue, Edward ; Gibbs, Julian H. (1983) Agreement between the gelation and molecular dynamics models of the hydrogen-bond network in water Chemical Physics Letters, 94 (3). pp. 253-258. ISSN 0009-2614

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Official URL: http://linkinghub.elsevier.com/retrieve/pii/000926...

Related URL: http://dx.doi.org/10.1016/0009-2614(83)87082-1

Abstract

Numerical results characterizing the clusters of hydrogen-bonded molecules in water as obtained by Geiger, Stillinger and Rahman via a molecular dynamics/percolation simulation are shown to be in excellent agreement with those obtained via the corresponding gelation simulation of the random polycondensation of tetrafunctional units with intramolecular reaction allowed.

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ID Code:4577
Deposited On:18 Oct 2010 07:29
Last Modified:18 Oct 2010 07:29

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