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Reply to "Molecular mechanics models for the image charge"

Articolo
Data di Pubblicazione:
2017
Abstract:
We have considered the system investigated by Steinmann et al. by means of the image charge model originally proposed in Iori and Corni, J. Comput. Chem. 2008, 29, 1656. Qualitatively correct results are obtained, that compare favorably with the relevant analytical benchmarks. We show that the effect of the asymmetry of the rod model can be controlled, when needed, as originally suggested, that is, by shorter rods. This strategy does not increase neither the complexity of the model nor its computational cost. © 2017 Wiley Periodicals, Inc.
Tipologia CRIS:
01.01 Articolo in rivista
Keywords:
classical MD simulation; Drude rod model; image interaction
Elenco autori:
Corni, Stefano
Link alla scheda completa:
https://iris.cnr.it/handle/20.500.14243/328216
Pubblicato in:
JOURNAL OF COMPUTATIONAL CHEMISTRY (ONLINE)
Journal
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