Cargando…
A Method of Calculating the Kamlet–Abboud–Taft Solvatochromic Parameters Using COSMO-RS
There is demand for safer and bio-based solvents, brought on by legislation and sustainability objectives. The prediction of physical properties is highly desirable to help design new molecules. Here we present an in silico approach to obtain calculated Kamlet–Abboud–Taft solvatochromic parameters u...
| Autores principales: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2019
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6630472/ https://www.ncbi.nlm.nih.gov/pubmed/31200457 http://dx.doi.org/10.3390/molecules24122209 |