Fluctuations in biological and bioinspired electron-transfer reactions
Central to theories of electron transfer (ET) is the idea that nuclear motion generates a
transition state that enables electron flow to proceed, but nuclear motion also induces …
transition state that enables electron flow to proceed, but nuclear motion also induces …
DNA-based nanobiostructured devices: The role of quasiperiodicity and correlation effects
The purpose of this review is to present a comprehensive and up-to-date account of the
main physical properties of DNA-based nanobiostructured devices, stressing the role played …
main physical properties of DNA-based nanobiostructured devices, stressing the role played …
Spin-selective transport through helical molecular systems
Highly spin-selective transport of electrons through a helically shaped electrostatic potential
is demonstrated in the frame of a minimal model approach. The effect is significant even for …
is demonstrated in the frame of a minimal model approach. The effect is significant even for …
Chiral-induced spin selectivity: A polaron transport model
Weak hyperfine interactions and spin-orbit coupling (SOC) in organic materials result in long
spin lifetimes, which is very promising for spintronics. On the other hand, they also make it …
spin lifetimes, which is very promising for spintronics. On the other hand, they also make it …
A hybrid approach to simulation of electron transfer in complex molecular systems
T Kubař, M Elstner - Journal of The Royal Society …, 2013 - royalsocietypublishing.org
Electron transfer (ET) reactions in biomolecular systems represent an important class of
processes at the interface of physics, chemistry and biology. The theoretical description of …
processes at the interface of physics, chemistry and biology. The theoretical description of …
Sequence-dependent spin-selective tunneling along double-stranded DNA
We report spin-selective tunneling of electrons along double-stranded DNA sandwiched
between nonmagnetic leads. On the basis of a model Hamiltonian which contains spin-orbit …
between nonmagnetic leads. On the basis of a model Hamiltonian which contains spin-orbit …
A quantum physics layer of epigenetics: a hypothesis deduced from charge transfer and chirality-induced spin selectivity of DNA
Background Epigenetic mechanisms are informational cellular processes instructing normal
and diseased phenotypes. They are associated with DNA but without altering the DNA …
and diseased phenotypes. They are associated with DNA but without altering the DNA …
An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings
Quantum–mechanical methods that are both computationally fast and accurate are not yet
available for electronic excitations having charge transfer character. In this work, we present …
available for electronic excitations having charge transfer character. In this work, we present …
Nonadiabatic QM/MM simulations of fast charge transfer in Escherichia coli DNA photolyase
In this report, we study the photoactivation process in Escherichia coli DNA photolyase,
involving long-range electron transport along a conserved chain of Trp residues between …
involving long-range electron transport along a conserved chain of Trp residues between …
Engineering nanometre-scale coherence in soft matter
Electronic delocalization in redox-active polymers may be disrupted by the heterogeneity of
the environment that surrounds each monomer. When the differences in monomer redox …
the environment that surrounds each monomer. When the differences in monomer redox …