(Q26823245)

M. Elstner

series ordinal

2

1 reference

language of work or name

1 reference

6 October 2013

1 reference

Journal of the Royal Society Interface

published in

1 reference

volume

10

1 reference

issue

87

1 reference

page(s)

20130415

1 reference

Long-distance charge transport in duplex DNA: the phonon-assisted polaron-like hopping mechanism

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Crystal Structure of DNA Photolyase from Escherichia coli

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Comparison of multiple Amber force fields and development of improved protein backbone parameters

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

GROMACS: fast, flexible, and free

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Refinement of the AMBER force field for nucleic acids: improving the description of alpha/gamma conformers

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

On the Inapplicability of Electron-Hopping Models for the Organic Semiconductor Phenyl-C61-butyric Acid Methyl Ester (PCBM).

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

A modified QM/MM Hamiltonian with the Self-Consistent-Charge Density-Functional-Tight-Binding Theory for highly charged QM regions

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Accounting for electronic polarization in non-polarizable force fields

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Reaction mechanisms of DNA photolyase

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Fluctuations in biological and bioinspired electron-transfer reactions

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

The diabatic picture of electron transfer, reaction barriers, and molecular dynamics

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Steering electrons on moving pathways

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Protein dynamics control the kinetics of initial electron transfer in photosynthesis

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Biochemistry. Photosynthesis from the protein's perspective

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Charge localization in stacked radical cation DNA base pairs and the benzene dimer studied by self-interaction corrected density-functional theory

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Electron transfer between biological molecules by thermally activated tunneling

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Charge transport in DNA in solution: the role of polarons

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

About supramolecular assemblies of pi-conjugated systems

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Charge separation in DNA via consecutive adenine hopping

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Electron transfer between membrane complexes and soluble proteins in photosynthesis.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Water at DNA surfaces: ultrafast dynamics in minor groove recognition

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Organic semiconductors: a theoretical characterization of the basic parameters governing charge transport

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Long-range charge hopping in DNA.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Charge transfer and transport in DNA.

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Reorganization energy of the initial electron-transfer step in photosynthetic bacterial reaction centers

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Electron transfer in proteins

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

DFTB3: Extension of the self-consistent-charge density-functional tight-binding method (SCC-DFTB).

28 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Including quantum decoherence in surface hopping.

31 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Direct simulation of electron transfer reactions in DNA radical cations

31 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Strong localization of positive charge in DNA induced by its interaction with environment

31 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

On the Theory of Oxidation‐Reduction Reactions Involving Electron Transfer. I

31 May 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

Electron transfers in chemistry and biology

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

Efficient calculation of charge-transfer matrix elements for hole transfer in DNA.

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

What governs the charge transfer in DNA? The role of DNA conformation and environment.

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

From solvent fluctuations to quantitative redox properties of quinones in methanol and acetonitrile.

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

Free energies for biological electron transfer from QM/MM calculation: method, application and critical assessment.

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

Nonadiabatic QM/MM simulations of fast charge transfer in Escherichia coli DNA photolyase

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

Quantentheoretische Beiträge zum Benzolproblem

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

Quantentheoretische Beiträge zum Problem der aromatischen und ungesättigten Verbindungen. III

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

A Semi‐Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. I

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

Electron interaction in unsaturated hydrocarbons

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

Theoretical description of charge migration with a single Slater-determinant and beyond.

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

Self-interaction correction to density-functional approximations for many-electron systems

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

Calculation of redox properties: understanding short- and long-range effects in rubredoxin

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

Electronic continuum model for molecular dynamics simulations of biological molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

Efficient algorithms for the simulation of non-adiabatic electron transfer in complex molecular systems: application to DNA.

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

Coherent switching with decay of mixing: an improved treatment of electronic coherence for non-Born-Oppenheimer trajectories.

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

A new approach to decoherence and momentum rescaling in the surface hopping algorithm.

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

21 January 2018

Charge hopping in DNA.

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

Base sequence effects in radical cation migration in duplex DNA: support for the polaron-like hopping model

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

A multi-scale method for the calculation of charge transfer rates through the Pi-stack of DNA: application to DNA dynamics.

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

Effect of structural dynamics on charge transfer in DNA hairpins.

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

Mechanism for radical cation transport in duplex DNA oligonucleotides.

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

Charge transport through biomolecular wires in a solvent: bridging molecular dynamics and model Hamiltonian approaches.

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

Electron transfer in peptides with cysteine and methionine as relay amino acids.

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

Time-Dependent View of Sequential Transport through Molecules with Rapidly Fluctuating Bridges

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

Solvent Effects on Charge Spatial Extent in DNA and Implications for Transfer

21 January 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

Increasing the speed limit for hole transport in DNA.

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Direct measurement of the dynamics of hole hopping in extended DNA G-tracts. An unbiased random walk

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Coarse-grained time-dependent density functional simulation of charge transfer in complex systems: application to hole transfer in DNA.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Solvent fluctuations drive the hole transfer in DNA: a mixed quantum-classical study

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

PNA versus DNA: effects of structural fluctuations on electronic structure and hole-transport mechanisms

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

CASSCF/CAS-PT2 study of hole transfer in stacked DNA nucleobases.

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

DNA charge transport: conformationally gated hopping through stacked domains

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Charge transport in DNA via thermally induced hopping

28 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3758004

Small Polarons in Dry DNA

28 November 2018

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

UV absorption spectrum of alternating DNA duplexes. Analysis of excitonic and charge transfer interactions

21 January 2018

1 reference

12 December 2020

Organic Semiconductors: Impact of Disorder at Different Timescales

1 reference

12 December 2020

Charge transfer in model peptides: obtaining Marcus parameters from molecular simulation

1 reference

12 December 2020

Charge constrained density functional molecular dynamics for simulation of condensed phase electron transfer reactions

1 reference

12 December 2020

Charge transport in desolvated DNA

1 reference

12 December 2020

Semiclassical dynamics simulations of charge transport in stacked π-systems

1 reference

12 December 2020

The influence of dipole moments on the mechanism of electron transfer through helical peptides

1 reference

12 December 2020

Combined density functional theory and Landauer approach for hole transfer in DNA along classical molecular dynamics trajectories

1 reference

12 December 2020

Solvent reorganization energy of hole transfer in DNA

1 reference

12 December 2020

Electron transfer in peptides: the influence of charged amino acids

1 reference

12 December 2020

The theory of electron transfer reactions: what may be missing?

1 reference

12 December 2020

Revisiting electronic couplings and incoherent hopping models for electron transport in crystalline C60 at ambient temperatures

1 reference

12 December 2020

Simulation of solution phase electron transfer in a compact donor-acceptor dyad

1 reference

12 December 2020

Probing polar solvation dynamics in proteins: a molecular dynamics simulation analysis

1 reference

12 December 2020

Localization of a hole on an adenine-thymine radical cation in B-form DNA in water

1 reference

12 December 2020

Electronic coupling matrix elements from charge constrained density functional theory calculations using a plane wave basis set

1 reference

12 December 2020

Structural stability versus conformational sampling in biomolecular systems: why is the charge transfer efficiency in G4-DNA better than in double-stranded DNA?

1 reference

12 December 2020

Insight into the mechanism of the Ru2+-Ru3+ electron self-exchange reaction from quantitative rate calculations

1 reference

12 December 2020

Delocalization errors in a hubbard-like model: Consequences for density-functional tight-binding calculations of molecular systems

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

7 January 2021

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

1 reference

7 January 2021

Excess charge delocalization in organic and biological molecules: some theoretical notions

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

7 January 2021

The speed limit for sequential charge hopping in molecular materials

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

7 January 2021

The hole transfer in DNA: calculation of electron coupling between close bases

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

7 January 2021

Hole Size and Energetics in Double Helical DNA: Competition between Quantum Delocalization and Solvation Localization

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

7 January 2021

Adiabatic theory of outer sphere electron-transfer reactions in solution

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

7 January 2021

Charge transport in columnar stacked triphenylenes: Effects of conformational fluctuations on charge transfer integrals and site energies

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

7 January 2021

On the Non‐Orthogonality Problem Connected with the Use of Atomic Wave Functions in the Theory of Molecules and Crystals

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

7 January 2021

Charge migration through DNA molecules in the presence of mismatches

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

7 January 2021

Importance of electronic self-consistency in the TDDFT based treatment of nonadiabatic molecular dynamics

1 reference

https://api.crossref.org/works/10.1098%2FRSIF.2013.0415

7 January 2021

Identifiers

DOI

10.1098/RSIF.2013.0415

1 reference

1 reference

1 reference

PubMed publication ID

23883952

1 reference