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...

Descripción completa

Detalles Bibliográficos
Autores principales: Sherwood, James, Granelli, Joe, McElroy, Con R., Clark, James H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6630472/
https://www.ncbi.nlm.nih.gov/pubmed/31200457
http://dx.doi.org/10.3390/molecules24122209

Ejemplares similares