[HTML][HTML] The ONIOM method and its applications

LW Chung, WMC Sameera, R Ramozzi… - Chemical …, 2015 - ACS Publications
The fields of theoretical and computational chemistry have come a long way since their
inception in the mid-20th century. Fifty years ago, only rudimentary approximations for very …

Principles and applications of EPR spectroscopy in the chemical sciences

MM Roessler, E Salvadori - Chemical Society Reviews, 2018 - pubs.rsc.org
Electron spins permeate every aspect of science and influence numerous chemical
processes: they underpin transition metal chemistry and biochemistry, mediate …

Quantum chemical studies of light harvesting

C Curutchet, B Mennucci - Chemical reviews, 2017 - ACS Publications
The design of optimal light-harvesting (supra) molecular systems and materials is one of the
most challenging frontiers of science. Theoretical methods and computational models play a …

Delocalisation of photoexcited triplet states probed by transient EPR and hyperfine spectroscopy

S Richert, CE Tait, CR Timmel - Journal of Magnetic Resonance, 2017 - Elsevier
Photoexcited triplet states play a crucial role in photochemical mechanisms: long known to
be of paramount importance in the study of photosynthetic reaction centres, they have more …

Comprehensive investigation of the triplet state electronic structure of free-base 5, 10, 15, 20-tetrakis (4-sulfonatophenyl) porphyrin by a combined advanced EPR and …

A Barbon, MG Dal Farra, S Ciuti, M Albertini… - The Journal of …, 2020 - pubs.aip.org
The nature of the photoexcited triplet state of free-base 5, 10, 15, 20-tetrakis (4-
sulfonatophenyl) porphyrin (H 2 TPPS 4−) has been investigated by advanced Electron …

Light-induced triplet–triplet electron resonance spectroscopy

A Bertran, KB Henbest, M De Zotti… - The journal of …, 2020 - ACS Publications
We present a new technique, light-induced triplet–triplet electron resonance spectroscopy
(LITTER), which measures the dipolar interaction between two photoexcited triplet states …

The unique photophysical properties of the Peridinin-Chlorophyll-a-Protein

D Carbonera, M Di Valentin, R Spezia… - Current Protein and …, 2014 - ingentaconnect.com
Peridinin-Chlorophyll-a-Proteins (PCPs) are water-soluble light harvesting complexes from
dinoflagellates. They have unique light-harvesting and energy transfer properties which …

Triplet-state spin labels for highly sensitive pulsed dipolar spectroscopy

MG Dal Farra, S Ciuti, M Gobbo, D Carbonera… - Molecular …, 2019 - Taylor & Francis
Pulsed dipolar spectroscopic methods allow nanometer distance measurements between
pairs of spin labels. We have proposed a new spin labelling approach, based on the …

Orientation-selective and frequency-correlated light-induced pulsed dipolar spectroscopy

AM Bowen, A Bertran, KB Henbest… - The Journal of …, 2021 - ACS Publications
We explore the potential of orientation-resolved pulsed dipolar spectroscopy (PDS) in light-
induced versions of the experiment. The use of triplets as spin-active moieties for PDS offers …

[HTML][HTML] Distance measurements in peridinin-chlorophyll a-protein by light-induced PELDOR spectroscopy. Analysis of triplet state localization

M Di Valentin, MG Dal Farra, L Galazzo… - … et Biophysica Acta (BBA …, 2016 - Elsevier
Triplet-triplet energy transfer from chlorophylls to carotenoids is the mechanism underlying
the photoprotective role played by carotenoids in many light harvesting complexes, during …