Article ID Journal Published Year Pages File Type
5390015 Chemical Physics Letters 2006 5 Pages PDF
Abstract
Six-center delocalization indices computed within Mulliken and QTAIM approaches for a series of 27 polycyclic aromatic hydrocarbons are correlated with the properties of the electron density at ring critical points studied.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Multicenter delocalization indices vs. properties of the electron density at ring critical points: A study on polycyclic aromatic hydrocarbons
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