Á lódáil...
Data-driven analysis of the number of Lennard–Jones types needed in a force field
Force fields used in molecular simulations contain numerical parameters, such as Lennard–Jones (LJ) parameters, which are assigned to the atoms in a molecule based on a classification of their chemical environments. The number of classes, or types, should be no more than needed to maximize agreement...
Na minha lista:
| Foilsithe in: | Commun Chem |
|---|---|
| Main Authors: | , , , |
| Formáid: | Artigo |
| Teanga: | Inglês |
| Foilsithe: |
Nature Publishing Group UK
2020
|
| Ábhair: | |
| Rochtain Ar Líne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8294475/ https://ncbi.nlm.nih.gov/pubmed/34295996 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s42004-020-00395-w |
| Clibeanna: |
Cuir Clib Leis
Gan Chlibeanna, Bí ar an gcéad duine leis an taifead seo a chlibeáil!
|