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

Toon Verstraelen UGent, Veronique Van Speybroeck UGent and Michel Waroquier UGent (2010) Advances in the Implementation of Polarizable Force Fields for Molecular Simulations, workshop abstracts.
Please use this url to cite or link to this publication:
author
organization
year
type
conference
publication status
published
subject
in
Advances in the Implementation of Polarizable Force Fields for Molecular Simulations, workshop abstracts
publisher
Centre européen de Calcul atomique et moléculaire (CECAM)
conference name
Advances in the Implementation of Polarizable Force Fields for Molecular Simulations
conference location
Lausanne, Switzerland
conference start
2010-06-07
conference end
2010-06-09
language
English
UGent publication?
yes
classification
C3
copyright statement
I have transferred the copyright for this publication to the publisher
id
1937486
handle
http://hdl.handle.net/1854/LU-1937486
alternative location
http://www.cecam.org/workshop-4-382.html?presentation_id=4196
date created
2011-10-27 16:51:57
date last changed
2011-11-04 09:48:06
@inproceedings{1937486,
  author       = {Verstraelen, Toon and Van Speybroeck, Veronique and Waroquier, Michel},
  booktitle    = {Advances in the Implementation of Polarizable Force Fields for Molecular Simulations, workshop abstracts},
  language     = {eng},
  location     = {Lausanne, Switzerland},
  publisher    = {Centre europ{\'e}en de Calcul atomique et mol{\'e}culaire (CECAM)},
  title        = {The electronegativity equalization method and the split charge equilibration applied to organic systems: parameterization, validation and comparison},
  url          = {http://www.cecam.org/workshop-4-382.html?presentation\_id=4196},
  year         = {2010},
}

Chicago
Verstraelen, Toon, Veronique Van Speybroeck, and Michel Waroquier. 2010. “The Electronegativity Equalization Method and the Split Charge Equilibration Applied to Organic Systems: Parameterization, Validation and Comparison.” In Advances in the Implementation of Polarizable Force Fields for Molecular Simulations, Workshop Abstracts. Centre européen de Calcul atomique et moléculaire (CECAM).
APA
Verstraelen, T., Van Speybroeck, V., & Waroquier, M. (2010). The electronegativity equalization method and the split charge equilibration applied to organic systems: parameterization, validation and comparison. Advances in the Implementation of Polarizable Force Fields for Molecular Simulations, workshop abstracts. Presented at the Advances in the Implementation of Polarizable Force Fields for Molecular Simulations, Centre européen de Calcul atomique et moléculaire (CECAM).
Vancouver
1.
Verstraelen T, Van Speybroeck V, Waroquier M. The electronegativity equalization method and the split charge equilibration applied to organic systems: parameterization, validation and comparison. Advances in the Implementation of Polarizable Force Fields for Molecular Simulations, workshop abstracts. Centre européen de Calcul atomique et moléculaire (CECAM); 2010.
MLA
Verstraelen, Toon, Veronique Van Speybroeck, and Michel Waroquier. “The Electronegativity Equalization Method and the Split Charge Equilibration Applied to Organic Systems: Parameterization, Validation and Comparison.” Advances in the Implementation of Polarizable Force Fields for Molecular Simulations, Workshop Abstracts. Centre européen de Calcul atomique et moléculaire (CECAM), 2010. Print.