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Reply to “Molecular mechanics models for the image charge”
Author(s) -
Corni Stefano
Publication year - 2017
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.24855
Subject(s) - image (mathematics) , charge (physics) , asymmetry , rod , computational complexity theory , computer science , statistical physics , algorithm , physics , artificial intelligence , quantum mechanics , medicine , alternative medicine , pathology
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.