Carregant...
An efficient algorithm for multipole energies and derivatives based on spherical harmonics and extensions to particle mesh Ewald
Next-generation molecular force fields deliver accurate descriptions of non-covalent interactions by employing more elaborate functional forms than their predecessors. Much work has been dedicated to improving the description of the electrostatic potential (ESP) generated by these force fields. A co...
Guardat en:
| Autors principals: | , , , |
|---|---|
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
AIP Publishing LLC
2014
|
| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4032441/ https://ncbi.nlm.nih.gov/pubmed/24832247 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4873920 |
| Etiquetes: |
Afegir etiqueta
Sense etiquetes, Sigues el primer a etiquetar aquest registre!
|