Ultrafast electron diffraction: Visualizing dynamic states of matter
Since the discovery of electron-wave duality, electron scattering instrumentation has
developed into a powerful array of techniques for revealing the atomic structure of matter …
developed into a powerful array of techniques for revealing the atomic structure of matter …
TeraChem: A graphical processing unit‐accelerated electronic structure package for large‐scale ab initio molecular dynamics
TeraChem was born in 2008 with the goal of providing fast on‐the‐fly electronic structure
calculations to facilitate ab initio molecular dynamics studies of large biochemical systems …
calculations to facilitate ab initio molecular dynamics studies of large biochemical systems …
[HTML][HTML] TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units
Developed over the past decade, TeraChem is an electronic structure and ab initio
molecular dynamics software package designed from the ground up to leverage graphics …
molecular dynamics software package designed from the ground up to leverage graphics …
Liquid-phase mega-electron-volt ultrafast electron diffraction
The conversion of light into usable chemical and mechanical energy is pivotal to several
biological and chemical processes, many of which occur in solution. To understand the …
biological and chemical processes, many of which occur in solution. To understand the …
High-resolution movies of molecular rotational dynamics captured with ultrafast electron diffraction
Y Xiong, KJ Wilkin, M Centurion - Physical Review Research, 2020 - APS
Imaging the structure of molecules during a photoinduced reaction is essential for
elucidating reaction mechanisms. This requires high spatiotemporal resolution to capture …
elucidating reaction mechanisms. This requires high spatiotemporal resolution to capture …
Ultrafast molecular movies: Probing chemical dynamics with femtosecond electron and X-ray diffraction
Q Wang, L Yun, J Yang - CCS Chemistry, 2024 - chinesechemsoc.org
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 …
Differentiating and quantifying gas-phase conformational isomers using Coulomb explosion imaging
Conformational isomerism plays a crucial role in defining the physical and chemical
properties and biological activity of molecules ranging from simple organic compounds to …
properties and biological activity of molecules ranging from simple organic compounds to …
[HTML][HTML] Ultrafast electron diffraction from transiently aligned asymmetric top molecules: Rotational dynamics and structure retrieval
Ultrafast electron diffraction (UED) from aligned molecules in the gas phase has successfully
retrieved structures of both linear and symmetric top molecules. Alignment of asymmetric …
retrieved structures of both linear and symmetric top molecules. Alignment of asymmetric …
[HTML][HTML] Photodissociation of aqueous I3− observed with liquid-phase ultrafast mega-electron-volt electron diffraction
Developing femtosecond resolution methods for directly observing structural dynamics is
critical to understanding complex photochemical reaction mechanisms in solution. We have …
critical to understanding complex photochemical reaction mechanisms in solution. We have …
Ultrafast imaging of molecules with electron diffraction
Photoexcited molecules convert light into chemical and mechanical energy through changes
in electronic and nuclear structure that take place on femtosecond timescales. Gas phase …
in electronic and nuclear structure that take place on femtosecond timescales. Gas phase …