Intersystem crossing (ISC), formally forbidden within nonrelativistic quantum theory, is the
mechanism by which a molecule changes its spin state. It plays an important role in the …

We review the tremendous advances in ultrafast X-ray science, over the past 15 years,
making the best use of new ultrashort X-ray sources including table-top or large-scale …

Photoinduced charge-transfer is an important process in nature and technology and is
responsible for the emergence of exotic functionalities, such as magnetic order for cyanide …

Abstract Design-specific control over the transitions between excited electronic states with
different spin multiplicities is of the utmost importance in molecular and materials chemistry …

Iron-based spin-crossover complexes hold tremendous promise as multifunctional switches
in molecular devices. However, real-world technological applications require the excited …

Abstract Design-specific control over excited-state dynamics is necessary for any application
seeking to convert light into chemical potential. Such control is especially desirable in iron …

Conspectus The simulation of photoinduced non-adiabatic dynamics is of great relevance in
many scientific disciplines, ranging from physics and materials science to chemistry and …

The development of high-brilliance third-and fourth-generation light sources such as
synchrotrons and X-ray free-electron lasers (XFELs), the emergence of laboratory-based X …

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

In molecular spin-crossover materials, the spin-state switching is strongly coupled with
changes in the structural degrees of freedom, which play a central role in the alteration of …