Chemical Concepts and Quantum Chemistry

  • Name:

    Symposium

  • Venue:

    Mathematikon Heidelberg

  • Date:

    November 18-20

  • Speaker:

    various invited speakers

  • Chemical concepts such as molecular orbitals, chemical bonding or aromaticity have an important role in chemical explanations although they are not observables in a strict quantum mechanical sense. Nevertheless, there are - often various - quantum chemical methods which allow to quantify them. However, they are mostly not unique, disagree quantitatively and are not straightforward to interpret. But how can their seemingly successful application be understood if these are only fictitious quantities?

     

    • Can molecular orbitals be measured? How can they be used in chemical explanations?
    • What is a chemical bond?
    • How to understand chemical concepts like aromaticity or atomic charges?

     

    Confirmed speakers

    Paul Needham (Stockholm University)

    Robin Hendry (Durham University)

    Markus Reiher (ETH Zürich)
    Jochen Autschbach (University at Buffalo)

    Gernot Frenking (University of Marburg)

    Clémence Corminboeuf (EPFL Lausanne)

    Georg Jansen (University Duisburg-Essen)

    Rafaela Hillerbrand (KIT)
    W. H. Eugen Schwarz (Tsinghua Univ. Bejing)

    Célia Fonseca Guerra (VU Amsterdam)

    Frank De Proft (University of Brussels)
    Arne Lüchow (RWTH Aachen)
    Jan-Peter Meyn (FAU Erlangen-Nürnberg)

    Ángel Martín Pendás (University of Oviedo)

     

    See the program here!