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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.

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Spelling suggestions: "subject:"oneelectron charge distribution"" "subject:"onelectron charge distribution""

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The Nature of the Binding in Hydride Molecules

Keaveny, Ian Terence 10 1900 (has links)
<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> / Thesis / Doctor of Philosophy (PhD)
chemistry
binding
hydride molecule
hybridisation; bond polarity
one-electron charge distribution
electronic forces
Hartree-Fock wave function
first-row diatomic hydride

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