A carregar...
Improved prediction of solvation free energies by machine-learning polarizable continuum solvation model
Theoretical estimation of solvation free energy by continuum solvation models, as a standard approach in computational chemistry, is extensively applied by a broad range of scientific disciplines. Nevertheless, the current widely accepted solvation models are either inaccurate in reproducing experim...
Na minha lista:
| Publicado no: | Nat Commun |
|---|---|
| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2021
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8213834/ https://ncbi.nlm.nih.gov/pubmed/34145237 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41467-021-23724-6 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|