Advances in FEL technologies have contributed remarkably to various scientific fields over
the past decade, and ultrafast molecular dynamics is no exception. The ability to probe …

“Soft theories,” ie,“heuristic models based on reasoning by analogy” largely drove chemistry
understanding for 150 years or more. But soft theories have their limitations and with the …

Nonadiabatic molecular dynamics (NA-MD) is a powerful tool to model far-from-equilibrium
processes, such as photochemical reactions and charge transport. NA-MD application to …

Directly imaging structural dynamics involving hydrogen atoms by ultrafast diffraction
methods is complicated by their low scattering cross sections. Here we demonstrate that …

Identifying multiple rival reaction products and transient species formed during ultrafast
photochemical reactions and determining their time-evolving relative populations are key …

We present a new technique for the detection of molecules desorbed from an ice surface
using broad-band millimeter-wave rotational spectroscopy. The approach permits …

Real-time visualization of molecular transformations is a captivating yet challenging frontier
of ultrafast optical science and physical chemistry. While ultrafast x-ray and electron …

The relationship between the shape of a molecule and its chemical reactivity is a central
tenet in chemistry. However, the influence of the molecular geometry on reactivity can be …

Electrocyclic reactions are characterized by the concerted formation and cleavage of both σ
and π bonds through a cyclic structure. This structure is known as a pericyclic transition state …

In 1965, Woodward and Hoffmann proposed a theory to predict the stereochemistry of
electrocyclic reactions, which, after expansion and generalization, became known as the …