Earth-abundant first row transition metal complexes are important for the development of
large-scale photocatalytic and solar energy conversion applications. Coordination …

This Perspective describes current computational efforts in the field of simulating
photodynamics of transition metal complexes. We present the typical workflows and feature …

The non-equilibrium dynamics of electrons and nuclei govern the function of photoactive
materials. Disentangling these dynamics remains a critical goal for understanding …

The ultrafast dynamical response of solute–solvent interactions plays a key role in transition
metal complexes, where charge transfer states are ubiquitous. Nonetheless, there exist very …

Excited state dynamics of three iron (II) carbene complexes that serve as prototype Earth-
abundant photosensitizers were investigated by ultrafast optical spectroscopy. Significant …

One major challenge of future sustainable photochemistry is to replace precious and rare
transition metals in applications such as energy conversion or electroluminescence by earth …

Iron N‐heterocyclic carbene (NHC) complexes have received a great deal of attention
recently because of their growing potential as light sensitizers or photocatalysts. We present …

We concisely review the main methodological approaches to model nonadiabatic dynamics
in isotropic solutions and their applications. Three general classes of models are identified …

The enhancement mechanism due to the molecule–surface chemical interaction in surface-
enhanced Raman scattering (SERS) has been characterized using a theoretical approach …

Coordination compounds, characterized by fascinating and tunable electronic properties,
are capable of binding easily to proteins, polymers, wires and DNA. Upon irradiation, these …