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Title: Molecular dynamic calculations of the effect of polarity on the properties of liquids consisting of small linear molecules
Author: Carter, Keith F.
Awarding Body: University of London
Current Institution: Royal Holloway, University of London
Date of Award: 1983
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The effects of quadrupolar interactions on the thermodynamics, statics and dynamics of linear molecules consisting of two Lennard-Jones centres is studied for the liquid phase. This is illustrated by using nitrogen, chlorine and carbon dioxide molecules as representative of the differing bond lengths that can arise in these systems. The changes due to the magnitude of the quadrupole moment are investigated for the chlorine system. Calculations of the structure of two-Lennard-Jones centre fluids is also carried out using the RISM method.
Supervisor: Not available Sponsor: Not available
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID:  DOI: Not available
Keywords: Molecular Physics