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On the determination of intermolecular potentials

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

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Abstract

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
potential.

Item Type: Thesis (PhD)
Keywords: Molecules, Molecular theory
Copyright Holders: The Author
Copyright Information:

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
would be pleased to hear from the copyright owner(s).

Additional Information:

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

Date Deposited: 03 Feb 2015 03:23
Last Modified: 11 Mar 2016 05:56
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