| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394638 | Computational and Theoretical Chemistry | 2012 | 13 Pages |
Abstract
⺠Charge density analysis has been carried out on DPBP molecule to understand the effect of metal atoms and electric fields. ⺠The positive Laplacian of AuS and PtS bonds indicate the closed-shell type interaction. ⺠The applied electric fields altered the conformation and the electronic energy levels of molecule. ⺠The I-V characteristics show, the conductivity of Pt substituted molecule is higher than Au substituted molecule.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
M. Jothi, P. Kumaradhas,