| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9578888 | Chemical Physics Letters | 2005 | 8 Pages |
Abstract
We report a detailed characterization of the valence shell charge concentration (VSCC) of fluorine in methyl fluoride through the atoms in molecules theory. A comparison between the VSCCs of fluorine and neighboring elements (N, O, P, S, Cl) in the periodic table is also presented. The fluorine VSCC is shown to be tetrahedral and the most compact with the highest values of Ï and ââ2Ï. Our results calculated at several post Hartree-Fock levels of theory using a large basis set show a remarkable insensitivity to the level of theory.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Norberto Castillo, Russell J. Boyd,