Quantum mechanical continuum solvation models
This review on continuum solvation models has been preceded in Chemical Reviews by
others addressing the same subject. They are due to Tomasi and Persico1 (published in …
others addressing the same subject. They are due to Tomasi and Persico1 (published in …
Light absorption and energy transfer in the antenna complexes of photosynthetic organisms
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 …
absorbing molecules (chromophores), which are also responsible for the subsequent …
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
A summary of the technical advances that are incorporated in the fourth major release of the
q-Chem quantum chemistry program is provided, covering approximately the last seven …
q-Chem quantum chemistry program is provided, covering approximately the last seven …
Dielectric continuum methods for quantum chemistry
JM Herbert - Wiley Interdisciplinary Reviews: Computational …, 2021 - Wiley Online Library
This review describes the theory and implementation of implicit solvation models based on
continuum electrostatics. Within quantum chemistry this formalism is sometimes …
continuum electrostatics. Within quantum chemistry this formalism is sometimes …
Dynamics of light harvesting in photosynthesis
YC Cheng, GR Fleming - Annual review of physical chemistry, 2009 - annualreviews.org
We review recent theoretical and experimental advances in the elucidation of the dynamics
of light harvesting in photosynthesis, focusing on recent theoretical developments in …
of light harvesting in photosynthesis, focusing on recent theoretical developments in …
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 …
Polarizable embedding QM/MM: the future gold standard for complex (bio) systems?
Nowadays, hybrid QM/MM approaches are widely used to study (supra) molecular systems
embedded in complex biological matrices. However, in their common formulation, mutual …
embedded in complex biological matrices. However, in their common formulation, mutual …
Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization
Designing molecular materials with very large exciton diffusion lengths would remove some
of the intrinsic limitations of present-day organic optoelectronic devices. Yet, the nature of …
of the intrinsic limitations of present-day organic optoelectronic devices. Yet, the nature of …
Fluorescence resonance energy transfer in atomically precise metal nanoclusters by cocrystallization-induced spatial confinement
Understanding the fluorescence resonance energy transfer (FRET) of metal nanoparticles at
the atomic level has long been a challenge due to the lack of accurate systems with definite …
the atomic level has long been a challenge due to the lack of accurate systems with definite …
Delocalized excitons in natural light-harvesting complexes
Natural organisms such as photosynthetic bacteria, algae, and plants employ complex
molecular machinery to convert solar energy into biochemical fuel. An important common …
molecular machinery to convert solar energy into biochemical fuel. An important common …