Wird geladen...
GEM*: A Molecular Electronic Density-Based Force Field for Molecular Dynamics Simulations
GEM*, a force field that combines Coulomb and Exchange terms calculated with Hermite Gaussians with the polarization, bonded, and modified van der Waals terms from AMOEBA is presented. GEM* is tested on an initial water model fitted at the same level as AMOEBA. The integrals required for the evaluat...
Gespeichert in:
| Veröffentlicht in: | J Chem Theory Comput |
|---|---|
| Hauptverfasser: | , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2014
|
| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5207213/ https://ncbi.nlm.nih.gov/pubmed/26580355 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct500050p |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|