CLDP force field: Difference between revisions
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The '''CLDP''' (Canongia Lopes-Deschamps-Pádua) [[Force fields|force field]] | The '''CLDP''' (Canongia Lopes-Deschamps-Pádua) [[Force fields|force field]] | ||
<ref>[http://dx.doi.org/10.1021/jp0362133 José N. Canongia Lopes, Johnny Deschamps and Agílio A. H. Pádua "Modeling Ionic Liquids Using a Systematic All-Atom Force Field", Journal of Physical Chemistry B '''108''' pp. 2038-2047 (2004)]</ref> | <ref>[http://dx.doi.org/10.1021/jp0362133 José N. Canongia Lopes, Johnny Deschamps and Agílio A. H. Pádua "Modeling Ionic Liquids Using a Systematic All-Atom Force Field", Journal of Physical Chemistry B '''108''' pp. 2038-2047 (2004)]</ref> | ||
for [[ionic liquids]]. | for [[ionic liquids]] (in particular the dialkylimidazolium cation family). | ||
==References== | ==References== | ||
<references/> | <references/> | ||
;Related publications | |||
*[http://dx.doi.org/10.1021/jp0476545 José N. Canongia Lopes and Agílio A. H. Pádua "Molecular Force Field for Ionic Liquids Composed of Triflate or Bistriflylimide Anions", Journal of Physical Chemistry B '''108''' pp. 16893-16898 (2004)] | |||
*[http://dx.doi.org/10.1021/jp063901o José N. Canongia Lopes and Agílio A. H. Pádua "Molecular Force Field for Ionic Liquids III: Imidazolium, Pyridinium, and Phosphonium Cations; Chloride, Bromide, and Dicyanamide Anions", Journal of Physical Chemistry B '''110''' pp. 19586-19592 (2006)] | |||
*[http://dx.doi.org/10.1021/jp800281e José N. Canongia Lopes, Agílio A. H. Pádua, and Karina Shimizu "Molecular Force Field for Ionic Liquids IV: Trialkylimidazolium and Alkoxycarbonyl-Imidazolium Cations; Alkylsulfonate and Alkylsulfate Anions", Journal of Physical Chemistry B '''112''' pp. 5039-5046 (2008)] | |||
[[Category: Force fields]] | [[Category: Force fields]] | ||
Latest revision as of 14:45, 28 April 2014
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The CLDP (Canongia Lopes-Deschamps-Pádua) force field [1] for ionic liquids (in particular the dialkylimidazolium cation family).
References[edit]
- Related publications
- José N. Canongia Lopes and Agílio A. H. Pádua "Molecular Force Field for Ionic Liquids Composed of Triflate or Bistriflylimide Anions", Journal of Physical Chemistry B 108 pp. 16893-16898 (2004)
- José N. Canongia Lopes and Agílio A. H. Pádua "Molecular Force Field for Ionic Liquids III: Imidazolium, Pyridinium, and Phosphonium Cations; Chloride, Bromide, and Dicyanamide Anions", Journal of Physical Chemistry B 110 pp. 19586-19592 (2006)
- José N. Canongia Lopes, Agílio A. H. Pádua, and Karina Shimizu "Molecular Force Field for Ionic Liquids IV: Trialkylimidazolium and Alkoxycarbonyl-Imidazolium Cations; Alkylsulfonate and Alkylsulfate Anions", Journal of Physical Chemistry B 112 pp. 5039-5046 (2008)