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On the determination of intermolecular potentials

Snook, Ian Keith 1971 , 'On the determination of intermolecular potentials', PhD thesis, University of Tasmania.

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The definition and computational aspects of the intermolecular
potential energy function (hereafter simply called the intermolecular
potential or the potential) are discussed. A very convenient method
of determining tlie intermolecular potential by direct quantum mechanical
calculation is developed and illustrated by application to the interaction
of two ground state heIium atoms.
A summary is also presented of the relationship between the
intermolecular potential and the bulk properties of a gas to facilitate
the investigation of the semi-empirical method of determining the
potentiaI. This approach is applied to the pair interactions of CH4,CF4 and SF6 molecules.
Both the semi-empiricaI and quantum mechanicaI methods
are then applied to the question of the non-additivity of the intermolecular

Item Type: Thesis - PhD
Authors/Creators:Snook, Ian Keith
Keywords: Molecules, Molecular theory
Copyright Holders: The Author
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Copyright 1971 the Author - The University is continuing to endeavour to trace the copyright
owner(s) and in the meantime this item has been reproduced here in good faith. We
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Additional Information:

Thesis (Ph.D.) - University of Tasmania, 1971. Bibliography: l. 150-171

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