Long range behavior of high-rank topolog
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Michel Rafat; Paul L. A. Popelier
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Article
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2007
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John Wiley and Sons
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English
β 333 KB
## Abstract The construction of a highβrank multipolar force field (for peptides) is a complex task, leading to several intermediate questions in need of a clear answer. Here we focus on the convergence of the (electrostatic) multipolar expansion at medium and long range. Using molecular electron d