Prediction of molecular properties and spectroscopic profile of Riluzole with different functionals (B3LYP, M06-2X, MPWLYP): A combined theoretical and experimental study
| Autor: | Shukla, Vikas K., Sachan, Alok K., Pathak, Shilendra K., Srivastava, Ruchi, Prasad, Onkar, Sinha, Leena |
|---|---|
| Zdroj: | In Journal of Molecular Structure 15 February 2016 1106:265-276 |
| Databáze: | ScienceDirect |
| Externí odkaz: |
|
Full Text from ScienceDirect