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 …
most challenging frontiers of science. Theoretical methods and computational models play a …
Semiclassical path integral dynamics: Photosynthetic energy transfer with realistic environment interactions
This article reviews recent progress in the theoretical modeling of excitation energy transfer
(EET) processes in natural light harvesting complexes. The iterative partial linearized …
(EET) processes in natural light harvesting complexes. The iterative partial linearized …
DFTB/MM molecular dynamics simulations of the FMO light-harvesting complex
Because of the size of light-harvesting complexes and the involvement of electronic degrees
of freedom, computationally these systems need to be treated with a combined quantum …
of freedom, computationally these systems need to be treated with a combined quantum …
Predicting mutation-induced changes in the electronic properties of photosynthetic proteins from first principles: The Fenna–Matthews–Olson complex example
Multiscale molecular modeling is utilized to predict optical absorption and circular dichroism
spectra of two single-point mutants of the Fenna–Matthews–Olson photosynthetic pigment …
spectra of two single-point mutants of the Fenna–Matthews–Olson photosynthetic pigment …
Photoexcited energy relaxation in porphyrin nanorings
Natural photosynthetic systems convert solar energy to chemical energy with an extremely
high efficiency. Synthetic chromophore arrays are promising models for understanding and …
high efficiency. Synthetic chromophore arrays are promising models for understanding and …
Influence of Force Fields and Quantum Chemistry Approach on Spectral Densities of BChl a in Solution and in FMO Proteins
Studies on light-harvesting (LH) systems have attracted much attention after the finding of
long-lived quantum coherences in the exciton dynamics of the Fenna–Matthews–Olson …
long-lived quantum coherences in the exciton dynamics of the Fenna–Matthews–Olson …
Non-radiative relaxation of photoexcited chlorophylls: theoretical and experimental study
Nonradiative relaxation of high-energy excited states to the lowest excited state in
chlorophylls marks the first step in the process of photosynthesis. We perform ultrafast …
chlorophylls marks the first step in the process of photosynthesis. We perform ultrafast …
Spectral densities and absorption spectra of the core antenna complex CP43 from photosystem II
P Sarngadharan, S Maity… - The Journal of Chemical …, 2022 - pubs.aip.org
Besides absorbing light, the core antenna complex CP43 of photosystem II is of great
importance in transferring excitation energy from the antenna complexes to the reaction …
importance in transferring excitation energy from the antenna complexes to the reaction …
Predicting solvatochromic shifts and colours of a solvated organic dye: The example of nile red
The solvatochromic shift, as well as the change in colour of the simple organic dye nile red,
is studied in two polar and two non-polar solvents in the context of large-scale time …
is studied in two polar and two non-polar solvents in the context of large-scale time …
Cavity-Mediated Enhancement of the Energy Transfer in the Reduced Fenna–Matthews–Olson Complex
Strong light-matter interaction leads to the formation of hybrid polariton states and can alter
the light-harvesting properties of natural photosynthetic systems without modifying their …
the light-harvesting properties of natural photosynthetic systems without modifying their …