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Gaussian Multipole Model (GMM)
An electrostatic model based on charge density is proposed as a model for future force fields. The model is composed of a nucleus and a single Slater-type contracted Gaussian multipole charge density on each atom. The Gaussian multipoles are fit to the electrostatic potential (ESP) calculated at the...
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| Главные авторы: | , , , , |
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| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
2010
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2832208/ https://ncbi.nlm.nih.gov/pubmed/20209077 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct900348b |
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