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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 73, 1991 - Issue 2
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Original Articles

Quantum corrections to equilibrium properties of molecular fluids

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Pages 427-438 | Received 07 Sep 1990, Accepted 21 Nov 1990, Published online: 23 Aug 2006
 

Abstract

The quantum corrections to the free energy of molecular fluids of rigid interacting molecules are calculated. The influence of permanent multipole moment, induced multiple moment, anisotropic dispersion and shape factor are taken into account for rigid linear molecules. Expressions are given for the free energy in simple forms. The theory is applied to study the influence of permanent multipole moments and shape factors on the quantum effects. The quantum correction to the free energy of HCl is also studied. The rotational quantum correction dominates in this case.

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