The electronegativity equalization method and the split charge equilibration applied to organic systems: parameterization, validation and comparison

T. Verstraelen, V. Van Speybroeck, M. Waroquier
ISBN/ISSN:
Talk

Conference / event / venue 

Advances in the Implementation of Polarizable Force Fields for Molecular Simulations
Lausanne, Switzerland
Monday, 7 June, 2010 to Wednesday, 9 June, 2010