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The Quantum Mechanics of Unsaturated and Aromatic Molecules: A Comparison of Two Methods of Treatment

Wheland, G. W. (1934) The Quantum Mechanics of Unsaturated and Aromatic Molecules: A Comparison of Two Methods of Treatment. Journal of Chemical Physics, 2 (8). pp. 474-481. ISSN 0021-9606. https://resolver.caltech.edu/CaltechAUTHORS:20140805-122259897

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Abstract

A comparison is made of two quantum‐mechanical methods of treatment of unsaturated and aromatic organic molecules. The HLSP treatment, which is based upon the use of Slater valence‐bond eigenfunctions, seems to give results in somewhat better general agreement with experiment than the HMH, which is based upon the use of molecular orbitals of the Hund‐Mulliken type. The latter, however, can be extended to a wider variety of problems. The problems considered include the energy relations among hydrocarbons, the dissociation of aryl substituted ethanes, the electron‐affinity of free radicals and the acid strength of hydrocarbons.


Item Type:Article
Related URLs:
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http://dx.doi.org/10.1063/1.1749513DOIArticle
Additional Information:© 1934 American Institute of Physics. Received 11 June 1934. I wish to thank Professor Linus Pauling for his valuable help and criticism in the preparation of this paper, and Dr. Jack Sherman for his assistance in checking many of the calculations.
Issue or Number:8
Record Number:CaltechAUTHORS:20140805-122259897
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20140805-122259897
Official Citation:The Quantum Mechanics of Unsaturated and Aromatic Molecules: A Comparison of Two Methods of Treatment Wheland, G. W., The Journal of Chemical Physics, 2, 474-481 (1934), DOI:http://dx.doi.org/10.1063/1.1749513
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:47985
Collection:CaltechAUTHORS
Deposited By: George Porter
Deposited On:05 Aug 2014 21:20
Last Modified:02 Mar 2020 21:12

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