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Updated: Jul 17, 2025

Merging Ion Concentration Polarization between Juxtaposed Ion Exchange Membranes to Block the Propagation of the Polarization Zone
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Merging Ion Concentration Polarization between Juxtaposed Ion Exchange Membranes to Block the Propagation of the Polarization Zone

Published on: February 23, 2017

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可极化嵌入潜力通过分子分离与结合帽,包括键的分子分离

David Carrasco-Busturia1, Jógvan Magnus Haugaard Olsen1

  • 1DTU Chemistry, Technical University of Denmark, DK-2800 Kongens Lyngby, Denmark.

Journal of chemical theory and computation
|September 4, 2023
PubMed
概括

这项研究引入了一种新的碎片化方法,即用含键 (MFCC(HB) 的合盖进行分子碎片化,以改进可极化嵌入 (PE) 计算. 这种方法通过更好地表示键相互作用,提高了生物分子系统的准确性.

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