A Density Approach to Chemical Binding

Please use this identifier to cite or link to this item: http://hdl.handle.net/11375/19970

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DC Field	Value	Language
dc.contributor.advisor	Bader, R. F. W.	-
dc.contributor.author	Preston, Harry John Thomas	-
dc.date.accessioned	2016-07-28T14:52:15Z	-
dc.date.available	2016-07-28T14:52:15Z	-
dc.date.issued	1969-05	-
dc.identifier.uri	http://hdl.handle.net/11375/19970	-
dc.description.abstract	<p> The material presented in this thesis is an attempt to obtain an increased understanding of the electronic structure and chemical binding in molecular systems. The one-electron charge distribution in methane, which is derived by considering only one-electron dependent properties of the system, is used to analyze the chemical binding in this molecule. A theoretical method, which allows one to determine the effect of the Pauli exclusion principle on the one-electron density distribution, is used to test the concepts underlying the electron pair repulsion theory as applied to H2O and NH3. Kinetic energy distributions are defined in order to examine the relationship between the topographical features of the molecular one-electron charge distribution and the kinetic energy of the system.</p>	en_US
dc.language.iso	en_US	en_US
dc.subject	density, chemical, binding, electronic structure, molecular systems, repulsion	en_US
dc.title	A Density Approach to Chemical Binding	en_US
dc.type	Thesis	en_US
dc.contributor.department	Chemistry	en_US
dc.description.degreetype	Thesis	en_US
dc.description.degree	Doctor of Philosophy (PhD)	en_US
Appears in Collections:	Open Access Dissertations and Theses

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