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</o:shapelayout></xml><![endif]--></head><body lang=EN-US link=blue vlink=purple><div class=WordSection1><p class=MsoNormal>Vabimo vas na 11. predavanje iz sklopa "Kolokviji na IJS" v letu 2011/12, ki bo <strong><span style='color:red'>v sredo, 15. februarja , 2012, ob 13. uri </span></strong><span style='color:red'>v Veliki predavalnici Instituta »Jožef Stefan«</span> na Jamovi cesti 39 v Ljubljani. Napovednik predavanja najdete tudi na naslovu <a href="http://www.ijs.si/ijsw/Koledar_prireditev">http://www.ijs.si/ijsw/Koledar_prireditev</a>, posnetke preteklih predavanj<span style='color:blue'> </span>pa na <a href="http://videolectures.net/kolokviji_ijs">http://videolectures.net/kolokviji_ijs</a>. <o:p></o:p></p><p class=MsoNormal style='margin-bottom:12.0pt'>~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><b>Prof. Dr. Richard Dronskowski<o:p></o:p></b></p><p class=MsoNormal><i>Chair of Solid-State and Quantum Chemistry<o:p></o:p></i></p><p class=MsoNormal><i>RWTH Aachen University, Aachen, Nemčija<o:p></o:p></i></p><p class=MsoNormal><b><span style='font-size:14.0pt;mso-fareast-language:SL'><o:p> </o:p></span></b></p><p class=MsoNormal style='text-align:justify'><b><span style='font-size:14.0pt'>Kemija trdnih snovi - kjer se kemija sreča s fiziko in vedo o materialih<o:p></o:p></span></b></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Sodobna teoretična kemija trdne snovi je vznemirljiva veda, povezana z mnogimi znanstvenimi področji. V predavanju se bomo najprej dotaknili izračunov proste entalpije trdnin, ki jih napravimo s teorijo gostotnih funkcionalov in ki jih potrebujemo za razumevanje in optimizacijo uporabnih materialov, kot so visokotemperaturni superprevodniki. Taki teoretični pristopi so posebej koristni v primerih, ko želimo napovedati lastnosti še neobstoječih snovi, zaenkrat zanimivih le akademsko. Lep zgled so visokotlačni kovinski pernitridi, zelo mlada vrsta trdnih snovi. Tako imenovani karbodiimidi so dušikovi analogi znanih oksidov, v katerih oksidni anion nadomestimo z izolobalnim karbodiimidnih anionom kot pri divalentnih nitridih; naj spomnimo, da so do slednjih prišli s čisto teoretičnim razmislekom. V nasprotju s kemijsko manj zanimivimi oksidi celotna vrsta karbodiimidov prehodnih kovin kaže nepričakovane lastnosti, kot je feromagnetizem in obnasanje, značilno za spinske tekočine. Naposled bomo obravnavali se solem podobne nedavno sintetizirane spojine na osnovi gvanina, biokemijsko zelo pomembnega gradnika. Te ustrezajo dušikovim analogom znanih karbonatov. Razumljivo je, da je kristalna struktura gvanidinatov močno odvisna od mreže vodikovih vezi, kar prav tako pogosto zahteva teoretični vpogled na osnovi izračunov iz prvih principov.<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal style='mso-margin-top-alt:auto;margin-bottom:12.0pt;text-align:justify'>Predavanje bo v angleščini.<span lang=SL style='mso-fareast-language:SL'><o:p></o:p></span></p><p class=MsoNormal style='mso-margin-top-alt:auto;margin-bottom:12.0pt'><strong><span style='color:red'>Lepo vabljeni!</span></strong><strong><span style='font-weight:normal'><o:p></o:p></span></strong></p><p class=MsoNormal align=center style='text-align:center'><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'>*****<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'><o:p> </o:p></span></p><p class=MsoNormal style='text-align:justify'>We would like to invite you to 11th lecture of the "Kolokvij na IJS" in the school year 2011/12. The lecture will be held <b>on Wednesday, February 15, 2012, at 1 pm</b> at the <b>JSI main lecture hall</b>, Jamova 39, Ljubljana. The abstract of the lecture can be found on website: <span style='font-size:10.0pt'><a href="http://www.ijs.si/ijsw/Koledar_prireditev"><span style='font-size:12.0pt'>http://www.ijs.si/ijsw/Koledar_prireditev</span></a></span>, the previous recorded lectures can be found on website: <span style='font-size:10.0pt'><a href="http://videolectures.net/kolokviji_ijs"><span style='font-size:12.0pt'>http://videolectures.net/kolokviji_ijs</span></a></span>.<span style='font-size:10.0pt'> </span><o:p></o:p></p><p class=MsoNormal style='margin-bottom:12.0pt'>********************************************<b><span lang=SL><o:p></o:p></span></b></p><p class=MsoNormal><b><o:p> </o:p></b></p><p class=MsoNormal><b>Prof. Dr. Richard Dronskowski<o:p></o:p></b></p><p class=MsoNormal><i>Chair of Solid-State and Quantum Chemistry<o:p></o:p></i></p><p class=MsoNormal><i>RWTH Aachen University, Aachen, Germany<o:p></o:p></i></p><p class=MsoNormal><b><span style='font-size:16.0pt;mso-fareast-language:SL'><o:p> </o:p></span></b></p><p class=MsoNormal><b><span style='font-size:16.0pt'>Solid-state chemistry - where chemistry meets physics and materials science<o:p></o:p></span></b></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal style='text-align:justify'>Modern (theoretical) solid-state chemistry is a most fascinating discipline in that it touches upon many scientific fields. To start with, I will cover how density-functional calculations may pave the way to purely theoretical (first-principles) Gibbs energy data for solids, very much needed to understand and optimize materials of practical interest, e.g., high-temperature superconductors. Such theoretical approaches are also extremely useful when it comes to pre-dicting non-existent compounds of – at the present time – purely academic interest, nicely ex-emplified by high-pressure metal pernitrides, still a very young class of solid-state phases. Likewise, so-called carbodiimides are the nitrogen-analogues of the well-known oxides be-cause here the oxide anion has been replaced by the isolobal carbodiimide anion, very much in the spirit of a “divalent nitride” species; note that such phases have also been made possible only by theoretical reasoning. The entire series of the transition-metal carbodiimides (as op-posed to the chemically less interesting oxides) exhibits unexpected properties such as ferro-magnetism and spin-liquid-like behavior. Finally, salt-like compounds containing the guani-dine species, a biochemically extremely important building block, have recently been predicted and synthesized, and they correspond to the nitrogen analogues of the well-known carbonates. It is clear that the crystal structures of the guanidinates heavily depend on the H-bond network, which often demands theoretical insight from first-principles computations.<o:p></o:p></p><p class=MsoNormal><b><span style='font-size:14.0pt'><o:p> </o:p></span></b></p><p class=MsoNormal><b><span style='font-size:14.0pt'>We look forward to meeting you at the “Kolokvij na IJS”!<o:p></o:p></span></b></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D'><o:p> </o:p></span></p></div></body></html>