| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 11027135 | Journal of Molecular Structure | 2019 | 57 Pages |
Abstract
The work involves the vibrational spectral analysis of 2.6 Bis (tri fluro methyl) benzoic acid. The theoretical calculations were performed at DFT level of theory with 6-311++g(d,p) as basis set. A visual representation of molecular orbital composition was done using DOS.67
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
K.R. Santhy, M. Daniel Sweetlin, S. Muthu, Tintu K. Kuruvilla, Christina Susan Abraham,