Multireference approaches for excited states of molecules

H Lischka, D Nachtigallova, AJA Aquino… - Chemical …, 2018 - ACS Publications
Understanding the properties of electronically excited states is a challenging task that
becomes increasingly important for numerous applications in chemistry, molecular physics …

UV photoinduced dynamics of conformer-resolved aromatic peptides

S Soorkia, C Jouvet, G Grégoire - Chemical reviews, 2019 - ACS Publications
A detailed understanding of radiative and nonradiative processes in peptides containing an
aromatic chromophore requires the knowledge of the nature and energy level of low-lying …

The role of πσ* states in the photochemistry of heteroaromatic biomolecules and their subunits: insights from gas-phase femtosecond spectroscopy

GM Roberts, VG Stavros - Chemical Science, 2014 - pubs.rsc.org
In an effort to illuminate why nature has chosen a particular set of bio-molecular 'building-
blocks' for life, recent years have seen an up-surge of gas-phase spectroscopy experiments …

Ultrafast intersystem crossing in acetylacetone via femtosecond X-ray transient absorption at the carbon K-edge

A Bhattacherjee, CD Pemmaraju… - Journal of the …, 2017 - ACS Publications
Molecular triplet states constitute a crucial gateway in the photochemical reactions of
organic molecules by serving as a reservoir for the excess electronic energy. Here, we …

Environment-driven coherent population transfer governs the ultrafast photophysics of tryptophan

VK Jaiswal, P Kabacinski… - Journal of the …, 2022 - ACS Publications
By combining UV transient absorption spectroscopy with sub-30-fs temporal resolution and
CASPT2/MM calculations, we present a complete description of the primary photoinduced …

A 'bottom up', ab initio computational approach to understanding fundamental photophysical processes in nitrogen containing heterocycles, DNA bases and base …

B Marchetti, TNV Karsili, MNR Ashfold… - Physical Chemistry …, 2016 - pubs.rsc.org
The availability of non-radiative decay mechanisms by which photoexcited molecules can
revert to their ground electronic state, without experiencing potentially deleterious chemical …

Time-resolved photoelectron imaging of excited state relaxation dynamics in phenol, catechol, resorcinol, and hydroquinone

RA Livingstone, JOF Thompson, M Iljina… - The Journal of …, 2012 - pubs.aip.org
Time-resolved photoelectron imaging was used to investigate the dynamical evolution of the
initially prepared S 1 (ππ*) excited state of phenol (hydroxybenzene), catechol (1, 2 …

Ultrafast molecular spectroscopy using a hollow-core photonic crystal fiber light source

N Kotsina, F Belli, S Gao, Y Wang, P Wang… - The journal of …, 2019 - ACS Publications
We demonstrate, for the first time, the application of rare-gas-filled hollow-core photonic
crystal fibers (HC-PCFs) as tunable ultraviolet light sources in femtosecond pump–probe …

Experimental and theoretical photoemission study of indole and its derivatives in the gas phase

O Plekan, H Sa'adeh, A Ciavardini… - The Journal of …, 2020 - ACS Publications
The valence and core-level photoelectron spectra of gaseous indole, 2, 3-dihydro-7-
azaindole, and 3-formylindole have been investigated using VUV and soft X-ray radiation …

Rydberg-to-valence evolution in excited state molecular dynamics

MJ Paterson, D Townsend - International Reviews in Physical …, 2020 - Taylor & Francis
We present an overview of experimental and theoretical investigations exploring the
dynamical evolution of Rydberg-to-valence character in the electronically excited states of …