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A recent publication by Eva Perlt, Michael von Domaros, and Barbara Kirchner is being highlighted in various media.
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Predicting the Ionic Product of Water: Dr. Eva Perlt, Michael von Domaros and Prof. Barbara Kirchner together with chemists from the Universities of Rostock and Wisconsin-Madison (USA) examined the spontaneous dissociation of water into ions for the first time with a computer. Their study sheds light on a reaction without which there would probably be no life. The article in Scientific Reports (DOI: 10.1038/s41598-017-10156-w) is is online and open access.

More informations ....


Coverage of the 50 year celebration of the Theoretical Chemistry in the Generalanzeiger Bonn.


Dr. Martin Thomas, a former PHD student of Prof. Barbara Kirchner, was honored with the excellence award of the VAA Stiftung.


Zero time to Waste: A video of the ETN-SOCRATES (Zero Waste) in which Prof. Dr. Barbara Kirchner and Dr. Oldamur Hollóczki participate as supervisor is online.


TRAVIS is included as a commandline tool in the ADF Modeling Suite.


The xtb program can be obtained freely for academic use upon request. Please contact xtbRemovespamfilteR@thch.uni-bonn.de for details.


A publication from Stefan Grimme and Stephan Ehrlich was highlighted at www.compchemhighlights.org.


Dr. Friedrich Malberg received a teaching award for the course "Mathematics for Chemists I" from the faculty of math and science.


Prof. Barbara Kirchner has accepted an invitation to join the Editorial Board of Topics in Current Chemistry.


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News from the Mulliken Center for Theoretical Chemistry

A recent publication by Eva Perlt, Michael von Domaros, and Barbara Kirchner is being highlighted in various media.
More informations ...


Predicting the Ionic Product of Water: Dr. Eva Perlt, Michael von Domaros, and Prof. Barbara Kirchner together with chemists from the Universities of Rostock and Wisconsin-Madison (USA) examined the spontaneous dissociation of water into ions for the first time with a computer. Their study sheds light on a reaction without which there would probably be no life. The article in Scientific Reports (DOI: 10.1038/s41598-017-10156-w) is is online and open access.

More informations ....


Coverage of the 50 year celebration of the Theoretical Chremistry in the Generalanzeiger Bonn.


Dr. Martin Thomas, a former PHD student of Prof. Barbara Kirchner, was honored with the excellence award of the VAA Stiftung.


Zero time to Waste: A video of the ETN-SOCRATES (Zero Waste) in which Prof. Dr. Barbara Kirchner and Dr. Oldamur Hollóczki participate as supervisor is online.


TRAVIS is included as a commandline tool in the ADF Modeling Suite.


The xtb program can be obtained freely for academic use upon request. Please contact xtbRemovespamfilteR@thch.uni-bonn.de for details.


A publication from Stefan Grimme and Stephan Ehrlich was highlighted at   www.compchemhighlights.org.


Dr. Friedrich Malberg received a teaching award for the course "Mathematics for Chemists I" from the faculty of math and science.


Prof. Barbara Kirchner has accepted an invitation to join the Editorial Board of Topics in Current Chemistry.


Dr. Rebecca Sure, a former PhD student of Prof. Stefan Grimme, has been awarded a Sigrid Peyerimhoff prize for young scientist from the Collaborative Research Center 813 (Chemistry at Spin Centers).


Prof. Barbara Kirchner has been appointed to the Editorial Advisory Board of The Journal of Chemical Physics.


The 2006 paper of Stefan Grimme introducing the B97-D density functional and the D2 dispersion correction is highlighted in the December issue of C&En as "Most-cited chemistry papers published a decade ago".


Gerit Brandenburg is awarded the PhD price 2016 of the university society Bonn for the best thesis over all disciplines. The former group member of Stefan Grimme has currently a Feodor-Lynen project of the Alexander von Humboldt foundation at the University College London.


An article by Prof. Barbara Kirchner has been selected as inside front cover of Issue 21/2016 of ChemPhysChem.


An article by Henry Weber and Prof. Barbara Kirchner has been chosen as Very Important Paper of ChemSusChem.


Thomson Reuters (Web of Science) identified an article by Prof. Barbara Kirchner and Dr. Oldamur Hollóczki as highly cited paper.


An article by Sascha Gehrke and Dr. Oldamur Hollóczki has been selected as inside back cover of Issue 32/2016 of Phys. Chem. Chem. Phys.


An article by Dzmitry Firaha and Prof. Barbara Kirchner has been selected as inside front cover of Issue 13/2016 of ChemSusChem.


Dr. Andreas Hansen earned a certificate for professional teaching expertise on the university (NRW-Zertifikat "Professionelle Lehrkompetenz für die Hochschule").


Stefan Grimme has been in 2015 again identified by Thomson Reuters (Web of Science) as belonging to about 3000 (top 1%) world-wide most cited scientists (top about 300 in chemistry).


Prof. Stefan Grimme is awarded a Leibniz Prize 2015 for his ground-breaking research in theoretical chemistry which combines theory and application in an ideal manner.


The article by Christoph Bannwarth, Jakob Seibert, and Prof. Stefan Grimme is listed among the most original and most significant scientific findings published in Chirality (Chirality Editor's Choice).


Christoph Bannwarth from the group of Prof. Stefan Grimme was awarded a poster prize at the 8th MQM conference in Uppsala, Sweden.


An article about carbon dioxide absorption in ionic liquids from Dzmitry Firaha and Prof. Barbara Kirchner has been highlighted on Angewandte Chemie.


A Horizon 2020 proposal (within the EU Framework Programme for Research and Innovation) of Prof. Koen Binnemans in which Prof. Dr. Barbara Kirchner and Dr. Oldamur Hollóczki participated has reached the stage of Grant Agreement preparation.


Barbara Kirchner and Barbara Intemann have published a News and Views article in Nature Chemistry.


Stefan Grimme has been again elected as a member of the DFG Review Board (Fachkollegium) for Organic Molecular Chemistry.


Dr. Eva Perlt, a Postdoc in the group of Prof. Barbara Kirchner, has been awarded a Sigrid Peyerimhoff prize for young scientist from the Collaborative Research Center 813 (Chemistry at Spin Centers).


A publication from Stefan Grimme, Jan Gerit Brandenburg, Christoph Bannwarth, and Andreas Hansen was highlighted at www.compchemhighlights.org.


J. Chem. Phys. has highlighted the article by Gerit Brandenburg, Tilo Maas, and Stefan Grimme as most innovative and influential in the field of chemical physics 2015 (JCP Editors' Choice for 2015).


An article about the design of ionic liquids as CO2 absorbents from the group of Prof. Barbara Kirchner has been highlighted on Nachrichten aus der Chemie.


A publication on Angew. Chem. from Stefan Grimme and Andreas Hansen was again highlighted at www.compchemhighlights.org.


Dr. Oldamur Hollóczki from group of Prof. Barbara Kirchner published an article which has been selected as back cover of issue 1, 2016 of Physical Chemistry Chemical Physics.


Christoph Bannwarth and Christoph Bauer from the group of Prof. Stefan Grimme each won a poster prize at the STC 2015 conference in Potsdam.


Stefan Grimme got the Karl-Ziegler Lectureship Award 2015 from the Max-Planck-Institut für Kohlenforschung Mülheim.


Two recent publications of the Grimme group (on Angew. Chem. and on Chem. Commun.) were highlighted at www.compchemhighlights.org.


A paper of the group of Prof. Barbara Kirchner has been selected as a hot paper of Angewandte Chemie.


Barbara Kirchner has edited together with Frank Neese a special issue on theoretical chemistry in Physical Chemistry Chemical Physics which is dedicated to "giving the younger generation of theoretical chemistry a forum".


Dzmitry Firaha from the group of Prof. Barbara Kirchner has been selected as a participant of the 65th Lindau Nobel Laureate Meeting.


A paper of the group of Prof. Barbara Kirchner has been selected for one of the images to be used on the cover of the October 2014 issue of the Journal of Chemical & Engineering Data.


Stefan Grimme has been identified by Thomson Reuters (Web of Science) as belonging to about 3000 (top 1%) world-wide most cited scientists (top about 200 in chemistry) in 2014.


A paper of the group of Prof. Stefan Grimme has been selected as a "Angewandte Top Beitrag".


For his Master's thesis, Christoph Bannwarth, Ph.D. student in the group of Prof. Stefan Grimme, has been awarded the Friedrich-Wilhelm-Preis 2013 by the RWTH Aachen University.


The CPMD-Meeting 2013 in Leipzig has been organized by the group of Prof. Barbara Kirchner.


At the 50th meeting of the International Academy of Quantum Molecular Science (IAQMS) in Menton (France), Prof. Stefan Grimme was elected as a regular member, joining a distinguished group of worldwide recognized Quantum- and Theoretical Chemists.


Prof. Stefan Grimme has been appointed as a member of the Kuratorium of the Angew. Chem.


The communication "Combinations of Ethers and B(C6F5)3 Function as Hydrogenation Catalysts", a collaboration by the groups of Prof. Doug W. Stephan (University of Toronto) and Prof. Stefan Grimme, has been chosen as "Hot Paper" in Angewandte Chemie (DOI: 10.1002/anie.201303166).


The two most cited papers in the first volumes of the new theoretical chemistry review journal WIREs Comput. Mol. Sci. have been written by Prof. Stefan Grimme (on dispersion corrections in DFT) and Prof. Frank Neese (on the ORCA program system).


Frank Neese, Director of the Max Planck Institute for Chemical Energy Conversion, Mülheim an der Ruhr, has been appointed as Honorary Professor of Theoretical Chemistry at the University of Bonn .


Dr. Immanuel Gadaczek has been awarded the "Geheimrat Dr. ter-Meer-Preis" 2013 of the Universitätsgesellschaft Bonn for his Ph.D thesis in the group of Prof. Thomas Bredow.


The article "Estimating the Hydrogen Bond Energy" of Katharina Wendler, Jens Thar, Stefan Zahn,and Barbara Kirchner (DOI: 10.1021/jp103470e) is one of the top most read articles in 2012 from The Journal of Physical Chemistry A.


Prof. Barbara Kirchner accepted a professorship for Theoretical Chemistry at the University Bonn.


Prof. Thomas Bredow has been awarded a Lehrpreis of the University Bonn.


For his outstanding work on ab initio and density functional methods for large molecules Prof. Stefan Grimme has been awarded the WATOC 2013 Schrödinger Medal.


On July 15th, 2011, the University of Ulm awarded a honorary doctorate to Prof. em. Dr. Sigrid D. Peyerimhoff.
Press release by the idw


Prof. Frank Neese left the University of Bonn on June 30th, 2011, and is now Director of the Max-Planck-Institut for Bioinorganic Chemistry in Mülheim an der Ruhr. His successor is Prof. Stefan Grimme from the University of Münster starting October 1st, 2011.


 

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