[HTML][HTML] Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

E Epifanovsky, ATB Gilbert, X Feng, J Lee… - The Journal of …, 2021 - pubs.aip.org
This article summarizes technical advances contained in the fifth major release of the Q-
Chem quantum chemistry program package, covering developments since 2015. A …

Dynamics of excitons in conjugated molecules and organic semiconductor systems

OP Dimitriev - Chemical Reviews, 2022 - ACS Publications
The exciton, an excited electron–hole pair bound by Coulomb attraction, plays a key role in
photophysics of organic molecules and drives practically important phenomena such as …

Expanded theory of H-and J-molecular aggregates: the effects of vibronic coupling and intermolecular charge transfer

NJ Hestand, FC Spano - Chemical reviews, 2018 - ACS Publications
The electronic excited states of molecular aggregates and their photophysical signatures
have long fascinated spectroscopists and theoreticians alike since the advent of Frenkel …

Luminescence in crystalline organic materials: from molecules to molecular solids

J Gierschner, J Shi, B Milián‐Medina… - Advanced Optical …, 2021 - Wiley Online Library
Luminescent small, all‐organic molecules are of tremendous interest in materials and life
science applications. Nevertheless, targeted design requires a basic understanding of the …

[HTML][HTML] Pursuing excitonic energy transfer with programmable DNA-based optical breadboards

D Mathur, SA Díaz, N Hildebrandt… - Chemical Society …, 2023 - pubs.rsc.org
DNA nanotechnology has now enabled the self-assembly of almost any prescribed 3-
dimensional nanoscale structure in large numbers and with high fidelity. These structures …

Organic optoelectronic materials: mechanisms and applications

O Ostroverkhova - Chemical reviews, 2016 - ACS Publications
Organic (opto) electronic materials have received considerable attention due to their
applications in thin-film-transistors, light-emitting diodes, solar cells, sensors, photorefractive …

Triplet pair states in singlet fission

K Miyata, FS Conrad-Burton, FL Geyer… - Chemical reviews, 2019 - ACS Publications
This account aims at providing an understanding of singlet fission, ie, the photophysical
process of a singlet state (S1) splitting into two triplet states (2× T1) in molecular …

Light absorption and energy transfer in the antenna complexes of photosynthetic organisms

T Mirkovic, EE Ostroumov, JM Anna… - Chemical …, 2017 - ACS Publications
The process of photosynthesis is initiated by the capture of sunlight by a network of light-
absorbing molecules (chromophores), which are also responsible for the subsequent …

Theoretical modeling of singlet fission

D Casanova - Chemical reviews, 2018 - ACS Publications
Singlet fission is a photophysical reaction in which a singlet excited electronic state splits
into two spin-triplet states. Singlet fission was discovered more than 50 years ago, but the …

Unconventional singlet fission materials

T Ullrich, D Munz, DM Guldi - Chemical Society Reviews, 2021 - pubs.rsc.org
Singlet fission (SF) is a photophysical downconversion pathway, in which a singlet excitation
transforms into two triplet excited states. As such, it constitutes an exciton multiplication …