PUMA publications for /tag/mpghttps://puma.ub.uni-stuttgart.de/tag/mpgPUMA RSS feed for /tag/mpg2024-03-28T16:56:29+01:00- Effect of Anions on Static Orientational Correlations, Hydrogen Bonds, and Dynamics in Ionic Liquids:0.167em A Simulational Studyhttps://puma.ub.uni-stuttgart.de/bibtex/2ba72e44008469b46cf6fc70e175da7fc/lorisburthlorisburth2023-10-15T17:24:10+02:00csc dfg icp mpg <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Baofu Qiao" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/195b1fe1bfe8800855404005f9a4fa483/author/0"><span itemprop="name">B. Qiao</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Christian Krekeler" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/195b1fe1bfe8800855404005f9a4fa483/author/1"><span itemprop="name">C. Krekeler</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Robert Berger" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/195b1fe1bfe8800855404005f9a4fa483/author/2"><span itemprop="name">R. Berger</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Luigi Delle Site" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/195b1fe1bfe8800855404005f9a4fa483/author/3"><span itemprop="name">L. Site</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Christian Holm" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/195b1fe1bfe8800855404005f9a4fa483/author/4"><span itemprop="name">C. Holm</span></a></span></span>. </span>(<em><span>January 2008<meta content="January 2008" itemprop="datePublished"/></span></em>)<a href="https://puma.ub.uni-stuttgart.de/bibtex/2ba72e44008469b46cf6fc70e175da7fc/lorisburth"><i>Effect of Anions on Static Orientational Correlations, Hydrogen Bonds, and Dynamics in Ionic Liquids:0.167em A Simulational Study.</i></a><em><span itemprop="journal">The Journal of Physical Chemistry B</span>, </em><em>volume 112. </em><em>page <span itemprop="pagination">1743--1751</span>. </em><em><span itemprop="publisher">American Chemical Society (ACS)</span>, </em>
[<a href="https://puma.ub.uni-stuttgart.de/">PUMA</a>:
<a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/csc">csc</a> <a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/dfg">dfg</a> <a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/icp">icp</a> <a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/mpg">mpg</a>]
<a href="https://doi.org/10.1021%2Fjp0759067">URL</a>
- Microstructure analysis of monodisperse ferrofluid monolayers: theory and simulationhttps://puma.ub.uni-stuttgart.de/bibtex/2470920a7f6396b62451f13913c4b449d/lorisburthlorisburth2023-10-15T17:15:18+02:00crdf icp mpg <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Sofia Kantorovich" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/1c033a8acb552ce7e4ea2f4947c3d83fb/author/0"><span itemprop="name">S. Kantorovich</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Juan J. Cerdà " itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/1c033a8acb552ce7e4ea2f4947c3d83fb/author/1"><span itemprop="name">J. Cerdà </span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Christian Holm" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/1c033a8acb552ce7e4ea2f4947c3d83fb/author/2"><span itemprop="name">C. Holm</span></a></span></span>. </span>(<em><span>2008<meta content="2008" itemprop="datePublished"/></span></em>)<a href="https://puma.ub.uni-stuttgart.de/bibtex/2470920a7f6396b62451f13913c4b449d/lorisburth"><i>Microstructure analysis of monodisperse ferrofluid monolayers: theory and simulation.</i></a><em><span itemprop="journal">Phys. Chem. Chem. Phys.</span>, </em><em>volume 10. </em><em>page <span itemprop="pagination">1883-1895</span>. </em><em><span itemprop="publisher">The Royal Society of Chemistry</span>, </em>
[<a href="https://puma.ub.uni-stuttgart.de/">PUMA</a>:
<a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/crdf">crdf</a> <a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/icp">icp</a> <a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/mpg">mpg</a>]
<a href="http://dx.doi.org/10.1039/B719460A">URL</a>
- A comparative study of two classical force fields on statics and dynamics of EMIMBF4 investigated via molecular dynamics simulationshttps://puma.ub.uni-stuttgart.de/bibtex/231e179a940a25c8dadc48c5952134e01/lorisburthlorisburth2023-10-15T16:45:37+02:00csc dfg icp mpg spp1191 <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Florian Dommert" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/1cee47ed9c91539e05df95c7d158c7c23/author/0"><span itemprop="name">F. Dommert</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Jochen Schmidt" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/1cee47ed9c91539e05df95c7d158c7c23/author/1"><span itemprop="name">J. Schmidt</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Baofu Qiao" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/1cee47ed9c91539e05df95c7d158c7c23/author/2"><span itemprop="name">B. Qiao</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Yuanyuan Zhao" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/1cee47ed9c91539e05df95c7d158c7c23/author/3"><span itemprop="name">Y. Zhao</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Christian Krekeler" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/1cee47ed9c91539e05df95c7d158c7c23/author/4"><span itemprop="name">C. Krekeler</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Luigi Delle Site" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/1cee47ed9c91539e05df95c7d158c7c23/author/5"><span itemprop="name">L. Site</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Robert Berger" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/1cee47ed9c91539e05df95c7d158c7c23/author/6"><span itemprop="name">R. Berger</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Christian Holm" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/1cee47ed9c91539e05df95c7d158c7c23/author/7"><span itemprop="name">C. Holm</span></a></span></span>. </span>(<em><span>December 2008<meta content="December 2008" itemprop="datePublished"/></span></em>)<a href="https://puma.ub.uni-stuttgart.de/bibtex/231e179a940a25c8dadc48c5952134e01/lorisburth"><i>A comparative study of two classical force fields on statics and dynamics of EMIMBF4 investigated via molecular dynamics simulations.</i></a><em><span itemprop="journal">The Journal of Chemical Physics</span>, </em><em>volume 129. </em><em><span itemprop="publisher">AIP Publishing</span>, </em>
[<a href="https://puma.ub.uni-stuttgart.de/">PUMA</a>:
<a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/csc">csc</a> <a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/dfg">dfg</a> <a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/icp">icp</a> <a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/mpg">mpg</a> <a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/spp1191">spp1191</a>]
<a href="https://doi.org/10.1063%2F1.3030948">URL</a>
- Ionic Charge Reduction and Atomic Partial Charges from First-Principles Calculations of 1,3-Dimethylimidazolium Chloridehttps://puma.ub.uni-stuttgart.de/bibtex/25d5f20618091d9e641bdb4c8ece6c39f/lorisburthlorisburth2023-09-24T23:49:55+02:00csc dfg icp mpg spp1191 <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Jochen Schmidt" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/14363e0ca617cc66e7c430ca259df6faf/author/0"><span itemprop="name">J. Schmidt</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Christian Krekeler" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/14363e0ca617cc66e7c430ca259df6faf/author/1"><span itemprop="name">C. Krekeler</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Florian Dommert" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/14363e0ca617cc66e7c430ca259df6faf/author/2"><span itemprop="name">F. Dommert</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Yuanyuan Zhao" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/14363e0ca617cc66e7c430ca259df6faf/author/3"><span itemprop="name">Y. Zhao</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Robert Berger" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/14363e0ca617cc66e7c430ca259df6faf/author/4"><span itemprop="name">R. Berger</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Luigi Delle Site" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/14363e0ca617cc66e7c430ca259df6faf/author/5"><span itemprop="name">L. Site</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Christian Holm" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/14363e0ca617cc66e7c430ca259df6faf/author/6"><span itemprop="name">C. Holm</span></a></span></span>. </span>(<em><span>April 2010<meta content="April 2010" itemprop="datePublished"/></span></em>)<a href="https://puma.ub.uni-stuttgart.de/bibtex/25d5f20618091d9e641bdb4c8ece6c39f/lorisburth"><i>Ionic Charge Reduction and Atomic Partial Charges from First-Principles Calculations of 1,3-Dimethylimidazolium Chloride.</i></a><em><span itemprop="journal">The Journal of Physical Chemistry B</span>, </em><em>volume 114. </em><em>page <span itemprop="pagination">6150--6155</span>. </em><em><span itemprop="publisher">American Chemical Society (ACS)</span>, </em>
[<a href="https://puma.ub.uni-stuttgart.de/">PUMA</a>:
<a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/csc">csc</a> <a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/dfg">dfg</a> <a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/icp">icp</a> <a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/mpg">mpg</a> <a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/spp1191">spp1191</a>]
<a href="https://doi.org/10.1021%2Fjp910771q">URL</a>
- Generic force fields for ionic liquidshttps://puma.ub.uni-stuttgart.de/bibtex/24450e5e931a8354988b0bc1f02ebc683/lorisburthlorisburth2023-09-24T16:36:12+02:00dfg hlrs icp mpg spp1191 <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Florian Dommert" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/1cc34ab5ad6edffb4ff50e8c81a1d07b8/author/0"><span itemprop="name">F. Dommert</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Katharina Wendler" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/1cc34ab5ad6edffb4ff50e8c81a1d07b8/author/1"><span itemprop="name">K. Wendler</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Baofu Qiao" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/1cc34ab5ad6edffb4ff50e8c81a1d07b8/author/2"><span itemprop="name">B. Qiao</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Luigi Delle Site" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/1cc34ab5ad6edffb4ff50e8c81a1d07b8/author/3"><span itemprop="name">L. Site</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Christian Holm" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/1cc34ab5ad6edffb4ff50e8c81a1d07b8/author/4"><span itemprop="name">C. Holm</span></a></span></span>. </span>(<em><span>April 2014<meta content="April 2014" itemprop="datePublished"/></span></em>)<a href="https://puma.ub.uni-stuttgart.de/bibtex/24450e5e931a8354988b0bc1f02ebc683/lorisburth"><i>Generic force fields for ionic liquids.</i></a><em><span itemprop="journal">Journal of Molecular Liquids</span>, </em><em>volume 192. </em><em>page <span itemprop="pagination">32--37</span>. </em><em><span itemprop="publisher">Elsevier BV</span>, </em>
[<a href="https://puma.ub.uni-stuttgart.de/">PUMA</a>:
<a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/dfg">dfg</a> <a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/hlrs">hlrs</a> <a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/icp">icp</a> <a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/mpg">mpg</a> <a href="https://puma.ub.uni-stuttgart.de/user/lorisburth/spp1191">spp1191</a>]
<a href="https://doi.org/10.1016%2Fj.molliq.2013.09.001">URL</a>