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

Kinetics of the Terminal Electron Transfer Step in Cytochrome c Oxidase

(2012) Varomyalin Tipmanee et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Charge Transfer in Model Peptides: Obtaining Marcus Parameters from Molecular Simulation

(2012) Alexander Heck et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Charge transport in high mobility molecular semiconductors: classical models and new theories

(2011) Alessandro Troisi   CHEMICAL SOCIETY REVIEWS

Dynamic disorder in molecular semiconductors: Charge transport in two dimensions

(2011) Alessandro Troisi   JOURNAL OF CHEMICAL PHYSICS

Nonadiabatic QM/MM Simulations of Fast Charge Transfer in Escherichia coli DNA Photolyase

(2011) Paul Benjamin Woiczikowski et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Reorganization Energy in Cytochrome c is Controlled by the Accessibility of the Heme to the Solvent

(2011) Carlo Augusto Bortolotti et al.   Journal of Physical Chemistry Letters

Charge Photogeneration in Organic Solar Cells

(2010) Tracey M. Clarke et al.   CHEMICAL REVIEWS

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

(2010) Harald Oberhofer et al.   JOURNAL OF CHEMICAL PHYSICS

A numerical study of mobility in thin films of fullerene derivatives

(2010) Roderick C. I. MacKenzie et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical Study of the Organic Photovoltaic Electron Acceptor PCBM: Morphology, Electronic Structure, and Charge Localization

(2010) David L. Cheung et al.   Journal of Physical Chemistry C

Prediction of Reorganization Free Energies for Biological Electron Transfer: A Comparative Study of Ru-Modified Cytochromes and a 4-Helix Bundle Protein

(2010) Varomyalin Tipmanee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Interaction of Charge Carriers with Lattice Vibrations in Oligoacene Crystals from Naphthalene to Pentacene

(2010) Roel S. Sánchez-Carrera et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Charge transport in organic crystals: interplay of band transport, hopping and electron–phonon scattering

(2010) Frank Ortmann et al.   NEW JOURNAL OF PHYSICS

The influence of substrate heating on morphology and layer growth in C60:ZnPc bulk heterojunction solar cells

(2010) Steffen Pfuetzner et al.   ORGANIC ELECTRONICS

Modeling Charge Transport in Organic Photovoltaic Materials

(2009) Jenny Nelson et al.   ACCOUNTS OF CHEMICAL RESEARCH

The initial and final states of electron and energy transfer processes: Diabatization as motivated by system-solvent interactions

(2009) Joseph E. Subotnik et al.   JOURNAL OF CHEMICAL PHYSICS

Evaluation of Electronic Coupling in Transition-Metal Systems Using DFT: Application to the Hexa-Aquo Ferric−Ferrous Redox Couple

(2009) Agostino Migliore et al.   Journal of Chemical Theory and Computation

Charge Transport in Semiconductors with Multiscale Conformational Dynamics

(2009) Alessandro Troisi et al.   PHYSICAL REVIEW LETTERS

Bandlike Motion and Mobility Saturation in Organic Molecular Semiconductors

(2009) S. Fratini et al.   PHYSICAL REVIEW LETTERS

Constructing diabatic states from adiabatic states: Extending generalized Mulliken–Hush to multiple charge centers with Boys localization

(2008) Joseph E. Subotnik et al.   JOURNAL OF CHEMICAL PHYSICS

Reorganization free energies and quantum corrections for a model electron self-exchange reaction: comparison of polarizable and non-polarizable solvent models

(2008) Jochen Blumberger et al.   MOLECULAR PHYSICS

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

(2008) Jochen Blumberger   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Persistence of Structure Over Fluctuations in Biological Electron-Transfer Reactions

(2008) Ilya A. Balabin et al.   PHYSICAL REVIEW LETTERS