X-ray free-electron lasers with intense, tuneable and short-pulse X-ray radiation are
transformative tools for the investigation of transition-metal complexes and metalloproteins …

An inversion method for time-resolved data from ultrafast experiments is introduced, based
on forward-optimization in a trajectory basis. The method is applied to experimental data …

Characterization of transient molecular structures formed during chemical and biological
processes is essential for understanding their mechanisms and functions. Over the last …

Rapid advances in ultrafast experiments have contributed to the rise of trajectory‐based
methods for describing nonadiabatic dynamics of molecular systems. In the present Chapter …

The quaternary transition between the relaxed (R) and tense (T) states of heme-binding
proteins is a textbook example for the allosteric structural transition. Homodimeric …

Determination of the optimum kinetic model is an essential prerequisite for characterizing
dynamics and mechanism of a reaction. Here, we propose a simple method, termed as …

This chapter illustrates how resonant inelastic x-ray scattering (RIXS) is used to address
questions in chemistry, with special focus on the electronic structure and catalytic activity of …

Photolysis of iodoform (CHI3) in solution has been extensively studied, but its reaction
mechanism remains elusive. In particular, iso-iodoform (iso-CHI2–I) is formed as a product …

Time-resolved X-ray liquidography (TRXL) has emerged as a powerful technique for
studying the structural dynamics of small molecules and macromolecules in liquid solutions …

Time‐resolved x‐ray liquidography (TRXL) is a powerful technique to study molecular
structural dynamics in the solution phase. Typically, a TRXL experiment is conducted during …