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<p class="MsoTitle" style="margin:0cm;margin-bottom:.0001pt"><span style="font-size:14.0pt;font-family:"Calibri","sans-serif";font-weight:normal">Vabilo na predavanje / Invitation to the Lecture<o:p></o:p></span></p>
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<b><span lang="EN-GB" style="font-size:8.0pt;line-height:150%"><o:p> </o:p></span></b></p>
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<b><span lang="EN-GB" style="font-size:18.0pt;line-height:150%">Prof. Dr. Ali Hassanali<o:p></o:p></span></b></p>
<p class="MsoNormal" align="center" style="text-align:center"><span style="font-size:14.0pt">The Abdus Salam International Centre for Theoretical Physics, Trst, Italija<o:p></o:p></span></p>
<p class="MsoNormal" align="center" style="text-align:center"><b><span style="font-size:8.0pt"><o:p> </o:p></span></b></p>
<p class="MsoNormal" align="center" style="text-align:center"><b><span style="font-size:18.0pt"><o:p> </o:p></span></b></p>
<p class="MsoNormal" align="center" style="text-align:center"><b><span style="font-size:18.0pt">Torek / Tuesday, 6. 12. 2016 ob / at 13:00<o:p></o:p></span></b></p>
<h6 style="margin:0cm;margin-bottom:.0001pt"><span lang="EN-GB" style="font-size:14.0pt;font-family:"Calibri","sans-serif""><o:p> </o:p></span></h6>
<h6 style="margin:0cm;margin-bottom:.0001pt"><span lang="EN-GB" style="font-size:14.0pt;font-family:"Calibri","sans-serif"">Velika predavalnica Kemijskega inštituta / Lecture Hall at the National
<o:p></o:p></span></h6>
<h6 style="margin:0cm;margin-bottom:.0001pt"><span lang="EN-GB" style="font-size:14.0pt;font-family:"Calibri","sans-serif"">Institute of Chemistry, Hajdrihova 19, Ljubljana<o:p></o:p></span></h6>
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<p class="MsoNormal" align="center" style="text-align:center;line-height:150%"><b><span lang="EN-GB" style="font-size:18.0pt;line-height:150%">Aqueous Solutions In Silico: Water, Ions, Protons & Proteins<o:p></o:p></span></b></p>
<p class="MsoNormal"><span style="font-size:13.0pt">Abstract:<o:p></o:p></span></p>
<p class="MsoNormal" style="text-align:justify;text-autospace:none"><span style="font-size:13.0pt">Water is one of the most ubiquitous substances in the universe. Despite long study from both experimental and theoretical approaches, phenomena in liquid water
and its coupling to other systems continues to be a source of rather rich and interesting physics. In this talk, I will discuss how first principles methods (<i>ab initio</i>) play an important role in understanding fundamental properties such as acid-base
chemistry and ion diffusion in liquid water. In particular, I will show how these methods elucidate deep insights into the molecular mechanisms associated with the Grotthuss mechanism of proton diffusion in water as well as the anomalous diffusion of water
around ions like CsI and NaCl. The importance of nuclear quantum fluctuations and their effect on structural and electronic properties will also be discussed. In the final part of my talk, I will discuss some recent work looking at the coupling of peptide
and water hydrogen bond networks in a model protein relevant for neurodegenerative diseases.<o:p></o:p></span></p>
<p class="MsoNormal" style="text-align:justify;text-autospace:none"><span style="font-size:14.0pt"><o:p> </o:p></span></p>
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<span lang="EN-GB" style="font-size:14.0pt;layout-grid-mode:line">Vljudno vabljeni / Kindly invited<o:p></o:p></span></p>
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<span lang="EN-GB" style="font-size:14.0pt;layout-grid-mode:line">info: Janez Mavri;
</span><a href="mailto:janez.mavri@ki.si"><span lang="EN-GB" style="font-size:14.0pt;layout-grid-mode:line">janez.mavri@ki.si</span></a><span style="font-size:14.0pt;layout-grid-mode:line">
</span><span lang="EN-GB" style="font-size:14.0pt;layout-grid-mode:line"><o:p></o:p></span></p>
<p class="MsoFooter"><o:p> </o:p></p>
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<p class="MsoNormal"><span style="mso-fareast-language:SL"> </span><span style="font-size:12.0pt;mso-fareast-language:SL"><o:p></o:p></span></p>
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<p class="MsoNormal" style="line-height:14.0pt"><b><span style="font-size:10.0pt;font-family:"Open Sans";color:#6B6B6E;mso-fareast-language:SL">Brigita Pirc</span></b><b><span style="mso-fareast-language:SL"><o:p></o:p></span></b></p>
<p class="MsoNormal" style="line-height:14.0pt"><span style="font-size:10.0pt;font-family:"Open Sans";color:#6B6B6E;mso-fareast-language:SL">Odnosi z javnostmi /
<i>Public Relations</i></span><span style="font-size:12.0pt;mso-fareast-language:SL"><o:p></o:p></span></p>
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<p class="MsoNormal"><span style="mso-fareast-language:SL"><img border="0" width="225" height="21" id="Picture_x0020_5" src="cid:image002.png@01D24BD5.D87E5180" alt="KI"></span><span style="font-size:12.0pt;mso-fareast-language:SL"><o:p></o:p></span></p>
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<p class="MsoNormal"><span style="mso-fareast-language:SL"> </span><span style="font-size:12.0pt;mso-fareast-language:SL"><o:p></o:p></span></p>
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<p class="MsoNormal" style="line-height:13.0pt"><span style="font-size:10.0pt;font-family:"Open Sans";color:#6B6B6E;mso-fareast-language:SL">Kemijski inštitut /
<i>National Institute of Chemistry </i></span><span style="mso-fareast-language:SL"><o:p></o:p></span></p>
<p class="MsoNormal" style="line-height:13.0pt"><span style="font-size:10.0pt;font-family:"Open Sans";color:#6B6B6E;mso-fareast-language:SL">Hajdrihova 19</span><span style="mso-fareast-language:SL"><o:p></o:p></span></p>
<p class="MsoNormal" style="line-height:13.0pt"><span style="font-size:10.0pt;font-family:"Open Sans";color:#6B6B6E;mso-fareast-language:SL">SI-1000 Ljubljana</span><span style="mso-fareast-language:SL"><o:p></o:p></span></p>
<p class="MsoNormal" style="line-height:13.0pt"><span style="font-size:10.0pt;font-family:"Open Sans";color:#6B6B6E;mso-fareast-language:SL">Slovenija /
<i>Slovenia</i></span><span style="mso-fareast-language:SL"><o:p></o:p></span></p>
<p class="MsoNormal" style="line-height:13.0pt"><span style="font-size:10.0pt;font-family:"Open Sans";color:#6B6B6E;mso-fareast-language:SL">Telefon / Phone: 00386 1 476 02 25</span><span style="mso-fareast-language:SL"><o:p></o:p></span></p>
<p class="MsoNormal" style="line-height:13.0pt"><span style="font-size:10.0pt;font-family:"Open Sans";color:#8DB3E2;mso-fareast-language:SL"><a href="mailto:brigita.pirc@ki.si"><span style="color:#8DB3E2">brigita.pirc@ki.si</span></a></span><span style="font-size:10.0pt;font-family:"Open Sans";color:#6888BD;mso-fareast-language:SL">
</span><span style="mso-fareast-language:SL"><a href="http://www.ki.si/"><span style="font-size:10.0pt;font-family:"Open Sans";color:#6888BD">www.ki.si</span></a><o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:10.0pt;mso-fareast-language:SL"> </span><span style="font-size:12.0pt;mso-fareast-language:SL"><o:p></o:p></span></p>
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