Publications by authors named "Alexander Heck"

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Sonographic appearance of a trapezius muscle tear in a high school pitcher.
Alexander Heck, Gregory Cvetanovich, Michael Baria

PM R· December 2021

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Crowned Dens Syndrome: Calcium Pyrophosphate Deposition Disease Masquerading as Osteomyelitis.
Alexander Heck, Nathanial Nolan, Christian Rojas-Moreno

J Rheumatol· October 2018

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Electronic Coupling Calculations for Bridge-Mediated Charge Transfer Using Constrained Density Functional Theory (CDFT) and Effective Hamiltonian Approaches at the Density Functional Theory (DFT) and Fragment-Orbital Density Functional Tight Binding (FODFTB) Level.
Natacha Gillet, Laura Berstis, Xiaojing Wu, Fruzsina Gajdos, Alexander Heck

J Chem Theory Comput· October 2016

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Simulation of Temperature-Dependent Charge Transport in Organic Semiconductors with Various Degrees of Disorder.
Alexander Heck, Julian J Kranz, Marcus Elstner

J Chem Theory Comput· July 2016

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Multi-Scale Approach to Non-Adiabatic Charge Transport in High-Mobility Organic Semiconductors.
Alexander Heck, Julian J Kranz, Tomáš Kubař, Marcus Elstner

J Chem Theory Comput· November 2015

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Charge carrier mobilities in organic semiconductors: crystal engineering and the importance of molecular contacts.
Asif Bashir, Alexander Heck, Akimitsu Narita, Xinliang Feng, Alexei Nefedov

Phys Chem Chem Phys· September 2015

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Electronic couplings for molecular charge transfer: benchmarking CDFT, FODFT and FODFTB against high-level ab initio calculations. II.
Adam Kubas, Fruzsina Gajdos, Alexander Heck, Harald Oberhofer, Marcus Elstner

Phys Chem Chem Phys· June 2015

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Erratum: "Electronic couplings for molecular charge transfer: Benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations" [J. Chem. Phys. 140, 104105 (2014)].
Adam Kubas, Felix Hoffmann, Alexander Heck, Harald Oberhofer, Marcus Elstner

J Chem Phys· March 2015

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Fragment orbital based description of charge transfer in peptides including backbone orbitals.
Alexander Heck, P Benjamin Woiczikowski, Tomáš Kubař, Kai Welke, Thomas Niehaus

J Phys Chem B· April 2014

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Electronic couplings for molecular charge transfer: benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations.
Adam Kubas, Felix Hoffmann, Alexander Heck, Harald Oberhofer, Marcus Elstner

J Chem Phys· March 2014

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Charge transfer in model peptides: obtaining Marcus parameters from molecular simulation.
Alexander Heck, P Benjamin Woiczikowski, Tomáš Kubař, Bernd Giese, Marcus Elstner

J Phys Chem B· February 2012

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