Article ID Journal Published Year Pages File Type
5379663 Chemical Physics Letters 2015 26 Pages PDF
Abstract

- Negativity of Fukui function values.
- Nodal nature of frontier orbitals at the position of nucleus and orbital relaxation effect.
- Role of electron-electron repulsion on negativity of Fukui function values.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Negativity of Fukui function of some isolated s and p block elements: The role of orbital relaxation effect
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