Journal
THEORETICAL CHEMISTRY ACCOUNTS
Volume 120, Issue 4-6, Pages 375-383Publisher
SPRINGER
DOI: 10.1007/s00214-008-0437-4
Keywords
reactivity descriptors; electric field; planar nonlinear polyatomic molecules; molecular interaction
Categories
Ask authors/readers for more resources
In the present article, we study the influence of external electric field on the density-based global and local reactivity descriptors using examples of some planar nonlinear polyatomic molecules with C-2V point group symmetry. The study mainly involves the application of weak electric field in a direction along the principal axis and along its perpendicular direction. We also discuss the strength of the electric field studied in this work in terms of the strength of the molecular interaction. The work is expected to throw light on the effect of interactions within the above range on reactivity descriptors. Results are presented for a few prototype molecules.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available