(Q51422674)

5 April 2018

title

Molecular origin of differences in hole and electron mobility in amorphous Alq3--a multiscale simulation study. (English)

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5 April 2018

author

Yuki Nagata

4

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5 April 2018

Marcus Elstner

5

object named as

Marcus Elstner

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5 April 2018

author name string

Andreas Fuchs

1

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5 April 2018

Thomas Steinbrecher

2

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5 April 2018

Mario S Mommer

3

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5 April 2018

Christian Lennartz

6

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language of work or name

English

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publication date

15 February 2012

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5 April 2018

Physical Chemistry Chemical Physics

published in

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5 April 2018

volume

14

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issue

12

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5 April 2018

page(s)

4259-4270

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5 April 2018

Charge transport in organic crystals: role of disorder and topological connectivity

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1 reference

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Simulating charge transport in tris(8-hydroxyquinoline) aluminium (Alq(3)).

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Atomistic simulation on charge mobility of amorphous tris(8-hydroxyquinoline) aluminum (Alq3): origin of Poole-Frenkel-type behavior

21 January 2018

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Polarizable atomistic calculation of site energy disorder in amorphous Alq3.

21 January 2018

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21 January 2018

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

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Electrostatic Free Energy and Other Properties of States Having Nonequilibrium Polarization. I

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Chemical and Electrochemical Electron-Transfer Theory

21 January 2018

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The thermodynamics of charge transfer in DNA photolyase: using thermodynamic integration calculations to analyse the kinetics of electron transfer reactions.

21 January 2018

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Electronic structure calculations on workstation computers: The program system turbomole

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Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

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Distributed multipole analysis

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Current status of the AMOEBA polarizable force field

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Charge transport properties of tris(8-hydroxyquinolinato)aluminum(III): why it is an electron transporter.

21 January 2018

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Modeling electrostatic effects in proteins

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Rapid grid-based construction of the molecular surface and the use of induced surface charge to calculate reaction field energies: applications to the molecular systems and geometric objects

21 January 2018

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21 January 2018

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Performance of Nonlinear Finite-Difference Poisson-Boltzmann Solvers

21 January 2018

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van der Waals Volumes and Radii

21 January 2018

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The role of short-ranged energetic correlations in the mobility field dependence of disordered organic materials.

21 January 2018

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Polarization energies in oligoacene semiconductor crystals

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Identifiers

DOI

10.1039/C2CP23489K

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5 April 2018

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5 April 2018