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Accurate Molecular Polarizabilities Based on Continuum Electrostatics
A novel approach for representing the intramolecular polarizability as a continuum dielectric is introduced to account for molecular electronic polarization. It is shown, using a finite-difference solution to the Poisson equation, that the Electronic Polarization from Internal Continuum (EPIC) model...
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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2008
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3640596/ https://ncbi.nlm.nih.gov/pubmed/23646034 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct800123c |
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