A carregar...
Calculation of V(S,max) and Its Use as a Descriptor for the Theoretical Calculation of pKa Values for Carboxylic Acids
The theoretical calculation of pKa values for Brønsted acids is a challenging task that involves sophisticated and time-consuming methods. Therefore, heuristic approaches are efficient and appealing methodologies to approximate these values. Herein, we used the maximum surface electrostatic potentia...
Na minha lista:
| Publicado no: | Molecules |
|---|---|
| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
MDPI
2018
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6337188/ https://ncbi.nlm.nih.gov/pubmed/30587832 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules24010079 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|