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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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Sonraí Bibleagrafaíochta
Main Authors: Schnieders, Michael J., Baker, Nathan A., Ren, Pengyu, Ponder, Jay W.
Formáid: Artigo
Teanga:Inglês
Foilsithe: 2007
Ábhair:
Rochtain Ar Líne: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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