| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 6877773 | Journal of Molecular Graphics and Modelling | 2013 | 9 Pages |
Abstract
- New multifunctional materials have been modeled.
- Effect of EDGs and EWGs was investigated on charge transfer and optical properties.
- The intra-molecular charge transfer was observed from donor to acceptor moieties.
- By DFT and TDDFT, different properties were computed.
- The modeled compounds would be efficient semiconductor materials for multipurpose.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Ahmad Irfan, Abdullah G. Al-Sehemi, Mohammad Sultan Al-Assiri,