November - 2020

Evaluation of the performances of different atomic charge and nonelectrostatic models in the finite‐

DOI: 10.1002/qua.26560 International Journal of Quantum Chemistry In this work, we investigate the effects of different atomic charge and...

Modeling the Electron Transfer Chain in an Artificial Photosynthetic Machine

The Journal of Physical Chemistry Letters DOI: 10.1021/acs.jpclett.0c02766 The development of efficient artificial leaves relies on the...

Chemical Theory and Modelling Group