Many-body exchange-repulsion in polarizable molecular mechanics. I. orbital-based approximations and applications to hydrated metal cation complexes - Archive ouverte HAL Access content directly
Journal Articles Journal of Computational Chemistry Year : 2011

Many-body exchange-repulsion in polarizable molecular mechanics. I. orbital-based approximations and applications to hydrated metal cation complexes

Robin Chaudret
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Nohad Gresh
  • Function : Author
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Olivier Parisel

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hal-02126872 , version 1 (13-05-2019)

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Robin Chaudret, Nohad Gresh, Olivier Parisel, Jean-Philip Piquemal. Many-body exchange-repulsion in polarizable molecular mechanics. I. orbital-based approximations and applications to hydrated metal cation complexes. Journal of Computational Chemistry, 2011, 32 (14), pp.2949-2957. ⟨10.1002/jcc.21865⟩. ⟨hal-02126872⟩
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