Cargando...
QM/MM Simulations with the Gaussian Electrostatic Model: A Density-based Polarizable Potential
The use of advanced polarizable potentials in quantum mechanical/molecular mechanical (QM/MM) simulations has been shown to improve the overall accuracy of the calculation. We have developed a density-based potential called the Gaussian electrostatic model (GEM), which has been shown to provide very...
Guardado en:
| Publicado en: | J Phys Chem Lett |
|---|---|
| Autores principales: | , , , , |
| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
2018
|
| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6069983/ https://ncbi.nlm.nih.gov/pubmed/29775314 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.8b01412 |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|