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[HTML][HTML] A comparative review of time-resolved x-ray and electron scattering to probe structural dynamics
The structure of molecules, particularly the dynamic changes in structure, plays an essential
role in understanding physical and chemical phenomena. Time-resolved (TR) scattering …
role in understanding physical and chemical phenomena. Time-resolved (TR) scattering …
Breaking the size limitation of nonadiabatic molecular dynamics in condensed matter systems with local descriptor machine learning
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 …
processes, such as photochemical reactions and charge transport. NA-MD application to …
Ultrafast molecular movies: Probing chemical dynamics with femtosecond electron and X-ray diffraction
Understanding the process of chemical reactions has always been a relentless pursuit for
chemists. The development of femtosecond pump-probe techniques since the 1980s has …
chemists. The development of femtosecond pump-probe techniques since the 1980s has …
Femtosecond electronic and hydrogen structural dynamics in ammonia imaged with ultrafast electron diffraction
Directly imaging structural dynamics involving hydrogen atoms by ultrafast diffraction
methods is complicated by their low scattering cross sections. Here we demonstrate that …
methods is complicated by their low scattering cross sections. Here we demonstrate that …
Monitoring the evolution of relative product populations at early times during a photochemical reaction
Identifying multiple rival reaction products and transient species formed during ultrafast
photochemical reactions and determining their time-evolving relative populations are key …
photochemical reactions and determining their time-evolving relative populations are key …
Ultrafast Picometer-Resolved Molecular Structure Imaging by Laser-Induced High-Order Harmonics
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 …
of ultrafast optical science and physical chemistry. While ultrafast x-ray and electron …
Rehybridization dynamics into the pericyclic minimum of an electrocyclic reaction imaged in real-time
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 …
and π bonds through a cyclic structure. This structure is known as a pericyclic transition state …
Prediction challenge: First principles simulation of the ultrafast electron diffraction spectrum of cyclobutanone
Computer simulation has long been an essential partner of ultrafast experiments, allowing
the assignment of microscopic mechanistic detail to low-dimensional spectroscopic data …
the assignment of microscopic mechanistic detail to low-dimensional spectroscopic data …
Brighter, faster, stronger: ultrafast scattering of free molecules
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 …
the past decade, and ultrafast molecular dynamics is no exception. The ability to probe …
Deciphering the influence of ground-state distributions on the calculation of photolysis observables
Nonadiabatic molecular dynamics offers a powerful tool for studying the photochemistry of
molecular systems. Key to any nonadiabatic molecular dynamics simulation is the definition …
molecular systems. Key to any nonadiabatic molecular dynamics simulation is the definition …