Mechanistic studies in photocatalysis
The fast‐moving fields of photoredox and photocatalysis have recently provided fresh
opportunities to expand the potential of synthetic organic chemistry. Advances in light …
opportunities to expand the potential of synthetic organic chemistry. Advances in light …
Spin-vibronic mechanism for intersystem crossing
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 …
mechanism by which a molecule changes its spin state. It plays an important role in the …
Multireference approaches for excited states of molecules
Understanding the properties of electronically excited states is a challenging task that
becomes increasingly important for numerous applications in chemistry, molecular physics …
becomes increasingly important for numerous applications in chemistry, molecular physics …
Nonadiabatic dynamics: The SHARC approach
We review the Surface Hop** including ARbitrary Couplings (SHARC) approach for
excited‐state nonadiabatic dynamics simulations. As a generalization of the popular surface …
excited‐state nonadiabatic dynamics simulations. As a generalization of the popular surface …
Attosecond electron dynamics in molecules
Advances in attosecond science have led to a wealth of important discoveries in atomic,
molecular, and solid-state physics and are progressively directing their footsteps toward …
molecular, and solid-state physics and are progressively directing their footsteps toward …
The ezSpectra suite: An easy‐to‐use toolkit for spectroscopy modeling
A molecule's spectrum encodes information about its structure and electronic properties. It is
a unique fingerprint that can serve as a molecular ID. Quantum chemistry calculations …
a unique fingerprint that can serve as a molecular ID. Quantum chemistry calculations …
Attosecond physics
Intense ultrashort light pulses comprising merely a few wave cycles became routinely
available by the turn of the millennium. The technologies underlying their production and …
available by the turn of the millennium. The technologies underlying their production and …
Imaging CF3I conical intersection and photodissociation dynamics with ultrafast electron diffraction
Conical intersections play a critical role in excited-state dynamics of polyatomic molecules
because they govern the reaction pathways of many nonadiabatic processes. However …
because they govern the reaction pathways of many nonadiabatic processes. However …
Simultaneous observation of nuclear and electronic dynamics by ultrafast electron diffraction
Simultaneous observation of nuclear and electronic motion is crucial for a complete
understanding of molecular dynamics in excited electronic states. It is challenging for a …
understanding of molecular dynamics in excited electronic states. It is challenging for a …
An experimentalist's guide to the matrix element in angle resolved photoemission
S Moser - Journal of Electron Spectroscopy and Related …, 2017 - Elsevier
Angle resolved photoemission spectroscopy (ARPES) is commonly known as a powerful
probe of the one-electron removal spectral function in ordered solid state. With increasing …
probe of the one-electron removal spectral function in ordered solid state. With increasing …