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Improved Grid-Based Algorithm for Bader Charge Allocation EDWARD SANVILLE,1* STEVEN D. KENNY,1 ROGER SMITH,1 GRAEME HENKELMAN2 1 Department of Mathematical Sciences, Loughborough University,
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Document Date: 2007-03-08 11:50:54
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Improved Grid-Based Algorithm for Bader Charge Allocation EDWARD SANVILLE,1* STEVEN D. KENNY,1 ROGER SMITH,1 GRAEME HENKELMAN2 1 Department of Mathematical Sciences, Loughborough University,