From a one-mode to a multi-mode understanding of conical intersection mediated ultrafast organic photochemical reactions
Y Boeije, M Olivucci - Chemical Society Reviews, 2023 - pubs.rsc.org
Over the last few decades, conical intersections (CoIns) have grown from theoretical
curiosities into common mechanistic features of photochemical reactions, whose function is …
curiosities into common mechanistic features of photochemical reactions, whose function is …
Time-resolved photoelectron spectroscopy: the continuing evolution of a mature technique
MS Schuurman, V Blanchet - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
Time-resolved photoelectron spectroscopy (TRPES) has become one of the most
widespread techniques for probing nonadiabatic dynamics in the excited electronic states of …
widespread techniques for probing nonadiabatic dynamics in the excited electronic states of …
Direct mapping of curve-crossing dynamics in IBr by attosecond transient absorption spectroscopy
The electronic character of photoexcited molecules can abruptly change at avoided
crossings and conical intersections. Here, we report direct mapping of the coupled interplay …
crossings and conical intersections. Here, we report direct mapping of the coupled interplay …
Time-Resolved X-ray Photoelectron Spectroscopy: Ultrafast Dynamics in CS2 Probed at the S 2p Edge
Recent developments in X-ray free-electron lasers have enabled a novel site-selective
probe of coupled nuclear and electronic dynamics in photoexcited molecules, time-resolved …
probe of coupled nuclear and electronic dynamics in photoexcited molecules, time-resolved …
[HTML][HTML] Excited state non-adiabatic dynamics of the smallest polyene, trans 1, 3-butadiene. II. Ab initio multiple spawning simulations
The excited state non-adiabatic dynamics of the smallest polyene, trans 1, 3-butadiene (BD),
has long been the subject of controversy due to its strong coupling, ultrafast time scales and …
has long been the subject of controversy due to its strong coupling, ultrafast time scales and …
Unmasking the cis-Stilbene Phantom State via Vacuum Ultraviolet Time-Resolved Photoelectron Spectroscopy and Ab Initio Multiple Spawning
We present the first vacuum ultraviolet time-resolved photoelectron spectroscopy (VUV-
TRPES) study of photoisomerization dynamics in the paradigmatic molecule cis-stilbene. A …
TRPES) study of photoisomerization dynamics in the paradigmatic molecule cis-stilbene. A …
Nonadiabatic Dynamics of Photoexcited cis-Stilbene Using Ab Initio Multiple Spawning
The photochemistry of cis-stilbene proceeds through two pathways: cis-trans isomerization
and ring closure to 4a, 4b-dihydrophenanthrene (DHP). Despite serving for many decades …
and ring closure to 4a, 4b-dihydrophenanthrene (DHP). Despite serving for many decades …
Improved insights in time-resolved photoelectron imaging
N Kotsina, D Townsend - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
Time-resolved photoelectron imaging (TRPEI) is a highly differential technique for the
detailed study of non-adiabatic energy redistribution dynamics operating in the electronically …
detailed study of non-adiabatic energy redistribution dynamics operating in the electronically …
The simulation of X-ray absorption spectra from ground and excited electronic states using core-valence separated DFT/MRCI
I Seidu, SP Neville, M Kleinschmidt, A Heil… - The Journal of …, 2019 - pubs.aip.org
We present an extension of the combined density functional theory (DFT) and multireference
configuration interaction (MRCI) method (DFT/MRCI)[S. Grimme and M. Waletzke, J. Chem …
configuration interaction (MRCI) method (DFT/MRCI)[S. Grimme and M. Waletzke, J. Chem …
[HTML][HTML] Optical projection and spatial separation of spin-entangled triplet pairs from the s1 (21 ag–) state of pi-conjugated systems
Summary The S 1 (2 1 A g–) state is an optically dark state of natural and synthetic pi-
conjugated materials that plays a role in optoelectronic processes, such as energy …
conjugated materials that plays a role in optoelectronic processes, such as energy …