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Polarizable Atomic Multipole Solutes in a Poisson-Boltzmann Continuum
Modeling the change in the electrostatics of organic molecules upon moving from vacuum into solvent, due to polarization, has long been an interesting problem. In vacuum, experimental values for the dipole moments and polarizabilities of small, rigid molecules are known to high accuracy; however, it...
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| Main Authors: | , , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2007
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2430168/ https://ncbi.nlm.nih.gov/pubmed/17411115 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.2714528 |
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