Quantum Bio·Inorganic Chemistry Society

QBtopIC Series

The "QBIC Topics" is an online series of panel meetings organized by the QBIC Society. A discussion leader speaks with invited experts on a topic that is of interest to the wider QBIC community. Each meeting starts with a general introduction of the topic by the discussion leader, followed by statements by the invited experts and a general discussion between the panel members, to which the audience can participate with questions or comments.

QBtopIC 7: Reaction mechanisms in homogeneous and heterogeneous catalysis

The seventh QBtopIC event took place on 24 June 2022. Carole Duboc hosted Max García-Melchor and Vera Krewald for a discussion on the prediction of reaction mechanisms in homogeneous and heterogeneous catalysis.

QBtopIC 7

QBtopIC 6: Excited state dynamics of transition metal complexes

The sixth QBtopIC event took place on 24 November 2021. Leticia González discussed with Oliver Kühn and Patrick Zobel about excited state dynamics of transition metal complexes.

QBtopIC 6

Discussion report (PDF) »

QBtopIC 5: Accurate calculations of redox potentials in proteins

In the fifth QBtopIC event that took place on 27 October 2021, Ulf Ryde discussed with Lou Noodleman and Lubomir Rulisek about the Accurate Calculation of Redox Potentials in Proteins.

QBtopIC 5

Discussion report (PDF) »

QBtopIC 4: Excited-state wave functions

In the fourth QBtopIC event that took place on 29 September 2021, Felix Plasser discussed with Ilaria Ciofini and Sebastian Mai about the Classification and Analysis of Excited-state Wavefunctions in Transition Metal Complexes.

QBtopIC 4

Discussion report (PDF) »

QBtopIC 3: Polynuclear transition metal clusters

For the third QBtopIC event, scheduled on 10 June 2021 at 16:30 CEST, Giovanni Li Manni invited Werner Dobrautz and Nikolay Bogdanov for a discussion on the Electronic Structure of Polynuclear Transition Metal Clusters via Multiconfigurational Wave Functions.

QBtopIC 3

Discussion report (PDF) »

QBtopIC 2: Ligand field theory

For the second QBtopIC event, scheduled on 31 March 2021 at 16:30 CEST, Rob Deeth (University of Warwick) invited Frank Neese (MPI für Kohlenforschung) and Paul Walton (University of York) for a discussion on ligand field theory.

QBtopIC 2

Discussion report (PDF) »

QBtopIC 1: Spin states

For the first QBtopIC event, scheduled for 24 February 2021 at 16:30 CET, Marcel Swart invited Milica Feldt and Mariusz Radoń for a discussion on spin states.

QBtopIC 1

Discussion report (PDF) »

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