The Nature of the Binding in Hydride Molecules

Please use this identifier to cite or link to this item: http://hdl.handle.net/11375/18727

Full metadata record

DC Field	Value	Language
dc.contributor.advisor	Bader, R. F. W.	-
dc.contributor.author	Keaveny, Ian Terence	-
dc.date.accessioned	2016-01-12T17:15:21Z	-
dc.date.available	2016-01-12T17:15:21Z	-
dc.date.issued	1967-10	-
dc.identifier.uri	http://hdl.handle.net/11375/18727	-
dc.description.abstract	<p> In Part I the one-electron charge distribution in the water molecule is obtained by demanding that this distribution balance the nuclear forces of repulsion and reproduce the observed dipole moment. Parameters contained in the molecular orbital description are then related to such concepts as hybridisation and bond polarities. </p> <p> In Part II the electronic forces of attraction and the one-electron charge distribution, calculated from near Hartree-Fock wave functions, are used to interpret the binding in the first-row diatomic hydrides. </p>	en_US
dc.language.iso	en	en_US
dc.subject	chemistry	en_US
dc.subject	binding	en_US
dc.subject	hydride molecule	en_US
dc.subject	hybridisation; bond polarity	en_US
dc.subject	one-electron charge distribution	en_US
dc.subject	electronic forces	en_US
dc.subject	Hartree-Fock wave function	en_US
dc.subject	first-row diatomic hydride	en_US
dc.title	The Nature of the Binding in Hydride Molecules	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

Files in This Item:

File	Description	Size	Format
Keaveny_Ian_T_1967Oct_PhD.pdf Open Access		57.69 MB	Adobe PDF	View/Open