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Calculation of Nuclear Magnetic Shielding Constants in Two Simple Systems

McKoy, Vincent and Musher, Jeremy I. (1967) Calculation of Nuclear Magnetic Shielding Constants in Two Simple Systems. Journal of Chemical Physics, 46 (3). pp. 943-947. ISSN 0021-9606. http://resolver.caltech.edu/CaltechAUTHORS:20151028-114741297

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Abstract

The nuclear magnetic shielding constants of two simple systems are calculated explicitly. These systems are (1) a nucleus μ at a distance R from a hydrogenic atom of charge ζe in the presence of an external electric field, and (2) a nucleus μ of a hydrogenic atom of charge ζe in the presence of a point charge at R with the result expanded in inverse powers of R. These calculations should prove useful in understanding the long‐range contributions of functional groups and neighboring molecules to observed chemical shifts of molecules.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1063/1.1840830DOIArticle
http://scitation.aip.org/content/aip/journal/jcp/46/3/10.1063/1.1840830PublisherArticle
Additional Information:© 1967 American Institute of Physics. (Received 2 September 1966) This research was supported in part by a grant from the National Science Foundation GP 5687. One of us (V.M.) would like to acknowledge the hospitality of the Rockefeller University, where some of this work was performed.
Funders:
Funding AgencyGrant Number
NSFGP 5687
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Other Numbering System NameOther Numbering System ID
Caltech Arthur Amos Noyes Laboratory of Chemical Physics3420
Record Number:CaltechAUTHORS:20151028-114741297
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20151028-114741297
Official Citation:Calculation of Nuclear Magnetic Shielding Constants in Two Simple Systems McKoy, Vincent and Musher, Jeremy I., The Journal of Chemical Physics, 46, 943-947 (1967), DOI:http://dx.doi.org/10.1063/1.1840830
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:61680
Collection:CaltechAUTHORS
Deposited By: George Porter
Deposited On:28 Oct 2015 21:32
Last Modified:13 Feb 2019 18:04

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