| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7809238 | Journal of Molecular Structure | 2017 | 27 Pages |
Abstract
The frontier molecular orbitals (HOMOs and LUMOs) of carboxamides (L1 and L2) were evaluated by DFT/B3LYP method with 6-311G(d,p) basis set in Gaussian 09 software.
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Ebru Aktan, Ayla Balaban Gündüzalp, Ãmmühan Ãzdemir Ãzmen,