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On reverse Monte Carlo constraints and model reproduction

George Opletal1, Timothy C Petersen2, Amanda S Barnard1

  • 1Molecular & Materials Modeling, DATA61, CSIRO, Door 34 Goods Shed, Village Street, Docklands, Victoria, 3008, Australia.

Journal of Computational Chemistry
|April 11, 2017
PubMed

Keywords:
Reverse Monte Carloab initioatomistic reconstructionconstraints

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