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

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, 32(14):2949-2957, 2011. [doi]

Authors

Robin Chaudret

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Nohad Gresh

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Olivier Parisel

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Jean-Philip Piquemal

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