Efficient parametrization of complex molecule-surface force fields

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David Z Gao1, Filippo Federici Canova2, Matthew B Watkins1

  • 1Department of Physics and Astronomy, University College London, Gower Street-London, United Kingdom.

Journal of Computational Chemistry
|April 21, 2015
PubMed

Keywords:
QM/MMforce fieldgenetic algorithmoptimizationorganic molecules

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