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Towards a force field based on density fitting
Total intermolecular interaction energies are determined with a first version of the Gaussian electrostatic model (GEM-0), a force field based on a density fitting approach using s-type Gaussian functions. The total interaction energy is computed in the spirit of the sum of interacting fragment ab i...
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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2006
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2080832/ https://ncbi.nlm.nih.gov/pubmed/16542062 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.2173256 |
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