Molecular Dynamics Using Nonvariational Polarizable Force Fields: Theory, Periodic Boundary Conditions Implementation, and Application to the Bond Capacity Model

Pier Paolo Poier, Louis Lagardère, Jean-Philip Piquemal, Frank Jensen
  • Journal of Chemical Theory and Computation, September 2019, American Chemical Society (ACS)
  • DOI: 10.1021/acs.jctc.9b00721

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The following have contributed to this page: Prof. Frank Jensen