Theoretical modeling of redox potentials of biomolecules
The estimation of the redox potentials of biologically relevant systems by means of
theoretical-computational approaches still represents a challenge. In fact, the size of these …
theoretical-computational approaches still represents a challenge. In fact, the size of these …
Rationalizing sequence and conformational effects on the guanine oxidation in different DNA conformations
The effect of the environment on the guanine redox potential is studied by means of a
theoretical–computational approach. Our data, in agreement with previous experimental …
theoretical–computational approach. Our data, in agreement with previous experimental …
Exact analytical ground state solution of 1D H with soft Coulomb potential
C Li - Journal of Mathematical Chemistry, 2022 - Springer
We provide the exact analytical ground state solution of one-dimensional H _2^+ 2+
molecule with soft Coulomb potential using our recently developed technique for solving …
molecule with soft Coulomb potential using our recently developed technique for solving …
Delocalization-assisted transport through nucleic acids in molecular junctions
The flow of charge through molecules is central to the function of supramolecular machines,
and charge transport in nucleic acids is implicated in molecular signaling and DNA repair …
and charge transport in nucleic acids is implicated in molecular signaling and DNA repair …
[HTML][HTML] Electron ratcheting in self-assembled soft matter
Ratcheted multi-step hop** electron transfer systems can plausibly produce directional
charge transport over very large distances without requiring a source–drain voltage bias. We …
charge transport over very large distances without requiring a source–drain voltage bias. We …
[PDF][PDF] Exact analytical ground state solution of 1D H
C Li - chem.pku.edu.cn
We provide the exact analytical ground state solution of one-dimensional H+ 2 molecule
with soft Coulomb potential using our recently developed technique for solving Schrödinger …
with soft Coulomb potential using our recently developed technique for solving Schrödinger …
Theory and Simulations of Charge Transfer in Engineered Chemical Systems
JCV Mora - 2021 - search.proquest.com
Electron transfer is an essential process for life to exist and is the working principle of
electronics. Fundamental knowledge of electron transfer is crucial for understanding …
electronics. Fundamental knowledge of electron transfer is crucial for understanding …
Map** of Charge Delocalization Domain in Fluctuating DNA
Z Li, K Han - 2020 - chemrxiv.org
In this manuscript, we presented a theoretical method which allows one to gain the snapshot
of the transient charge delocalization structure of the fluctuating DNA. It avoided the …
of the transient charge delocalization structure of the fluctuating DNA. It avoided the …