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2012

"Optimization of the explicit polarization (X-Pol) potential using a hybrid density functional"

  • Read more about "Optimization of the explicit polarization (X-Pol) potential using a hybrid density functional"

"Communication: Variational many-body expansion: Accounting for exchange repulsion, charge delocalization, and dispersion in the fragment-based explicit polarization method"

  • Read more about "Communication: Variational many-body expansion: Accounting for exchange repulsion, charge delocalization, and dispersion in the fragment-based explicit polarization method"

"JBC Papers in Press. Published on August 1, 2012 as Manuscript M112. 374504"

  • Read more about "JBC Papers in Press. Published on August 1, 2012 as Manuscript M112. 374504"

"Fragment-based quantum mechanical methods for periodic systems with Ewald summation and mean image charge convention for long-range electrostatic interactions"

  • Read more about "Fragment-based quantum mechanical methods for periodic systems with Ewald summation and mean image charge convention for long-range electrostatic interactions"

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