Non-bonded force field for the interaction between metals and organic molecules: a case study of olefins on aluminum
Abstract
In this work, we parameterize an empirical potential for the interaction between
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a
Department of Applied Mathematics, University of Western Ontario, London, Ontario, Canada
E-mail:
lkong7@uwo.ca, cdennist@uwo.ca, mmuser@uwo.ca
b
Materials and Processes Laboratory, General Motors R&D Center, Warren
E-mail:
yue.qi@gm.com
In this work, we parameterize an empirical potential for the interaction between
L. Kong, C. Denniston, M. H. Müser and Y. Qi, Phys. Chem. Chem. Phys., 2009, 11, 10195 DOI: 10.1039/B906874K
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