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Application of semiempirical electronic structure theory to compute the force generated by a single surface-mounted

Karl Sohlberg1, Gloria Bazargan2, Joseph P Angelo1,3

  • 1Department of Chemistry, Drexel University, Philadelphia, PA, 19104, USA.

Journal of Molecular Modeling
|January 14, 2017
PubMed

Keywords:
Molecular machineRotaxaneSemiempiricalTheory

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