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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 63, 1988 - Issue 2
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Original Articles

The intermolecular potential of chlorine

A three phase study

, &
Pages 173-188 | Received 24 Aug 1987, Accepted 08 Sep 1987, Published online: 23 Aug 2006
 

Abstract

We present an anisotropic atom-atom effective pair potential for chlorine and compare it with a wide range of experimental data. The crystal structure, lattice frequencies, liquid structure factor, and several thermodynamic properties of the liquid are all well reproduced. Reasonable agreement with experiment is also obtained for the structure factor of the gas, and for the second virial coefficient over a range of temperatures.

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