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Title:Rigorous Studies of the Electronic Structures of Molecules and Molecular Complexes. Electron Correlation Effects in the Hydrogen Bonding of Small Dimeric Systems (Hydrogen Fluoride, Carbon Monoxide, Nitrogen, Hydrogen Cyanide)
Author(s):Benzel, Mark Andrew
Department / Program:Chemistry
Degree Granting Institution:University of Illinois at Urbana-Champaign
Subject(s):Chemistry, Physical
Abstract:The effects of electron correlation in the weakly interacting dimers of hydrogen fluoride with the nitrogen molecule, carbon monoxide and hydrogen cyanide are presented. While linear equilibrium structures are found for these complexes, an attempt is made to elucidate their vibrationally averaged structures. It is found that the binding energies range from about two to seven kcals and the nature of this hydrogen bonding interaction is examined. Results for an experimentally unobserved complex of carbon monoxide and hydrogen fluoride are also presented.
Issue Date:1983
Description:67 p.
Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 1983.
Other Identifier(s):(UMI)AAI8309910
Date Available in IDEALS:2014-12-15
Date Deposited:1983

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