Beyond the Isotropic Atom Model in Crystal Structure Prediction of Rigid Molecules: Atomic Multipoles versus Point Charges

Graeme M. Day, W. D. Sam Motherwell, William Jones
  • Crystal Growth & Design, May 2005, American Chemical Society (ACS)
  • DOI: 10.1021/cg049651n

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The following have contributed to this page: Professor Graeme Day