Molecular electronic property density functions: The nuclear magnetic shielding density
- 1 December 1980
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 73 (11) , 5684-5692
- https://doi.org/10.1063/1.440045
Abstract
The general concept of a density function for a molecular electronic property is considered. The origin dependence of some electric and magnetic property densities is investigated and the nuclear magnetic shielding density function is used as a typical example. Density difference maps which reflect the changes in this electronic property upon molecule formation and bond extension are shown for the HF molecule and the related systems, the H atom and F− ion.Keywords
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