The electronegativity equalization method and the split charge equilibration applied to organic systems: parameterization, validation and comparison
- Author
- Toon Verstraelen (UGent) , Veronique Van Speybroeck (UGent) and Michel Waroquier (UGent)
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Please use this url to cite or link to this publication: http://hdl.handle.net/1854/LU-1937486
- MLA
- Verstraelen, Toon, et al. “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.
- 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, Lausanne, Switzerland.
- Chicago author-date
- 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).
- Chicago author-date (all authors)
- 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).
- 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. In: Advances in the Implementation of Polarizable Force Fields for Molecular Simulations, workshop abstracts. Centre européen de Calcul atomique et moléculaire (CECAM); 2010.
- IEEE
- [1]T. Verstraelen, V. Van Speybroeck, and M. Waroquier, “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, Lausanne, Switzerland, 2010.
@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 européen de Calcul atomique et moléculaire (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}}, }