Search Results - "Heck, Alexander"

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

“…A linear scaling QM/MM model for studying charge transport in high-mobility molecular semiconductors is presented and applied to an anthracene single crystal…”
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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 by Gillet, Natacha, Berstis, Laura, Wu, Xiaojing, Gajdos, Fruzsina, Heck, Alexander, de la Lande, Aurélien, Blumberger, Jochen, Elstner, Marcus

“…In this article, four methods to calculate charge transfer integrals in the context of bridge-mediated electron transfer are tested. These methods are based on…”
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Fragment Orbital Based Description of Charge Transfer in Peptides Including Backbone Orbitals by Heck, Alexander, Woiczikowski, P. Benjamin, Kubař, Tomáš, Welke, Kai, Niehaus, Thomas, Giese, Bernd, Skourtis, Spiros, Elstner, Marcus, Steinbrecher, Thomas B

“…Charge transfer in peptides and proteins can occur on different pathways, depending on the energetic landscape as well as the coupling between the involved…”
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Crowned Dens Syndrome: Calcium Pyrophosphate Deposition Disease Masquerading as Osteomyelitis by Heck, Alexander, Nolan, Nathanial, Rojas-Moreno, Christian

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

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

“…Different trends in the temperature dependence of the mobility can be observed in organic semiconductors, which constitutes a serious challenge for theoretical…”
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Charge Transfer in Model Peptides: Obtaining Marcus Parameters from Molecular Simulation by Heck, Alexander, Woiczikowski, P. Benjamin, Kubař, Tomáš, Giese, Bernd, Elstner, Marcus, Steinbrecher, Thomas B

“…Charge transfer within and between biomolecules remains a highly active field of biophysics. Due to the complexities of real systems, model compounds are a…”
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Discrete Collective Estimation in Swarm Robotics with Ranked Voting Systems by Shan, Qihao, Heck, Alexander, Mostaghim, Sanaz

“…The best-of-n problem has been a popular research topic for understanding collective decision-making in recent years. Researchers aim to enable a swarm of…”
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The Greening of the Deep Blue Sea : Paradigm Shift in the Capture Fishing Industry Through a Disruptive Circular Design Recycling Model Incorporating Additive Manufacturing by Heck, Ferdinand Gerd Alexander

“…The ubiquitous crisis of ocean plastic pollution desperately calls for immediate action. The global fishing industry is a crucial component of the food supply…”
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