Keeping the chromophores crossed: evidence for null exciton splitting

MP Lijina, A Benny, E Sebastian… - Chemical Society …, 2023 - pubs.rsc.org
Fundamental understanding of the supramolecular assemblies of organic chromophores
and the development of design strategies have seen endless ripples of interest owing to …

Real-time time-dependent electronic structure theory

X Li, N Govind, C Isborn, AE DePrince III… - Chemical …, 2020 - ACS Publications
Real-time electronic structure methods provide an unprecedented view of electron dynamics
and ultrafast spectroscopy on the atto-and femtosecond time scale with vast potential to yield …

Accurate Computation of the Absorption Spectrum of Chlorophyll a with Pair Natural Orbital Coupled Cluster Methods

A Sirohiwal, R Berraud-Pache, F Neese… - The Journal of …, 2020 - ACS Publications
The ability to accurately compute low-energy excited states of chlorophylls is critically
important for understanding the vital roles they play in light harvesting, energy transfer, and …

Circular polarization of luminescence as a tool to study molecular dynamical processes

SCJ Meskers - ChemPhotoChem, 2022 - Wiley Online Library
Circular polarization of luminescence is a phenomenon that can be observed for chiral
molecules in isotropic solution, for molecular aggregates and molecular materials. Also, the …

Structural Disorder as the Origin of Optical Properties and Spectral Dynamics in Squaraine Nano-Aggregates

R Bernhardt, M Manrho, J Zablocki… - Journal of the …, 2022 - ACS Publications
In contrast to regular J-and H-aggregates, thin film squaraine aggregates usually have
broad absorption spectra containing both J-and H-like features, which are favorable for …

A real-time time-dependent density functional tight-binding implementation for semiclassical excited state electron–nuclear dynamics and pump–probe spectroscopy …

FP Bonafé, B Aradi, B Hourahine… - Journal of Chemical …, 2020 - ACS Publications
The increasing need to simulate the dynamics of photoexcited molecular systems and
nanosystems in the subpicosecond regime demands new efficient tools able to describe the …

Atomistic insights into chemical interface damping of surface plasmon excitations in silver nanoclusters

OA Douglas-Gallardo, M Berdakin… - The Journal of Physical …, 2016 - ACS Publications
A detailed description of the mechanism underlying chemical interface damping (CID) in
silver nanoclusters is presented. The effect of adsorbates on the surface plasmon excitation …

Two-dimensional electronic spectroscopy of light-harvesting complex II at ambient temperature: a joint experimental and theoretical study

HG Duan, AL Stevens, P Nalbach… - The Journal of …, 2015 - ACS Publications
We have performed broad-band two-dimensional (2D) electronic spectroscopy of light-
harvesting complex II (LHCII) at ambient temperature. We found that electronic dephasing …

Coherent-to-incoherent transition of molecular fluorescence controlled by surface plasmon polaritons

S Wang, GD Scholes, LY Hsu - The journal of physical chemistry …, 2020 - ACS Publications
We investigate the coherent-to-incoherent transition of molecular fluorescence of a
chromophore above a silver surface (including bulk and thin-film systems) and explore the …

Photoelectrochemical hole injection revealed in polyoxotitanate nanocrystals functionalized with organic adsorbates

CFA Negre, KJ Young, MB Oviedo… - Journal of the …, 2014 - ACS Publications
We find that crystallographically resolved Ti17O24 (OPr i) 20 nanoparticles, functionalized
by covalent attachment of 4-nitrophenyl-acetylacetonate or coumarin 343 adsorbates …