Article ID Journal Published Year Pages File Type
5394394 Computational and Theoretical Chemistry 2013 12 Pages PDF
Abstract
► We calculate interelectronic probability distributions for localized molecular orbitals. ► We interpret our results as the distribution of electrons within a chemical bond. ► The position and momentum intracule densities uniquely characterize electron pairs.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
The localized pair model of electronic structure analysis
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