Загрузка...
Balanced Polarizable Drude Force Field Parameters for Molecular Anions: Phosphates, Sulfates, Sulfamates and Oxides
Polarizable force fields are emerging as a more accurate alternative to additive force fields in terms of modeling and simulations of a variety of chemicals including biomolecules. Explicit treatment of induced polarization in charged species such as phosphates and sulfates offers the potential for...
Сохранить в:
| Опубликовано в: : | J Mol Model |
|---|---|
| Главные авторы: | , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
2020
|
| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7326346/ https://ncbi.nlm.nih.gov/pubmed/32447472 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-020-04399-0 |
| Метки: |
Добавить метку
Нет меток, Требуется 1-ая метка записи!
|