| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5379751 | Chemical Physics Letters | 2015 | 5 Pages |
Abstract
- Chosen basis set and ab initio method influences structural and electronic properties of merocyanine.
- MC and MCH+Clâ conformers in solution are strongly stabilized due to the solute-solvent interactions.
- The structures that have highest dipole moments show the strongest reduction in their energies.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Rahul Singh, Michael C. Böhm, Ganesh Balasubramanian,