Semelak, J. A.; Zeida, A.; Foglia, N. O.; Estrin, D. A. Minimum Free Energy Pathways of Reactive Processes with Nudged Elastic Bands. Journal of Chemical Theory and Computation2023, 19, 6273–6293.
Foglia, N.; De Souza, B.; Maganas, D.; Neese, F. Including Vibrational Effects in Magnetic Circular Dichroism Spectrum Calculations in the Framework of Excited State Dynamics. The Journal of Chemical Physics2023, 158, 154108.
Foglia, N. O.; Maganas, D.; Neese, F. Going Beyond the Electric-Dipole Approximation in the Calculation of Absorption and (Magnetic) Circular Dichroism Spectra Including Scalar Relativistic and Spin–Orbit Coupling Effects. The Journal of Chemical Physics2022, 157, 084120.
Prof. Ferdi Schüth has been named an honorary fellow of the Chinese Chemical Society for his contributions to sustainable catalysis and international collaboration.
To mark the 100th anniversary of the Fischer-Tropsch synthesis, a scientific conference will be held in Mülheim next year. Our institute will of course be taking part.