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Physical Chemistry

Working Paper

Interrogation of the Intermolecular Forces that Drive Bulk Properties of Molecular Crystals with Terahertz Spectroscopy and Density Functional Theory

William Stoll, Peter Banks, Steven Dannenberg, Rory Waterman, Luca Catalano, Michael Ruggiero

Version 1 posted 06 January 2025

77

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Physical Chemistry

Working Paper

The Necessity of Periodic Boundary Conditions for the Accurate Calculation of Crystalline Terahertz Spectra

Peter Banks, Luke burgess, Michael Ruggiero

Version 1 posted 24 December 2020

511

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2

Citations

Physical Chemistry

Working Paper

Spatially Resolving Anharmonic Lattice Dynamics in Molecular Crystals With X-Ray Diffraction and Terahertz Spectroscopy

Martin Hutereau, Peter Banks, Ben Slater, J. Axel Zeitler, Andrew Bond, Michael Ruggiero

Version 1 posted 20 November 2019

534

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Physical Chemistry

Working Paper

Thermoelasticity in Organic Semiconductors Determined with Terahertz Spectroscopy and Quantum Quasi-Harmonic Simulations

Peter A. Banks, Jefferson Maul, Mark T. Mancini, Adam C. Whalley, Alessandro Erba, Michael Ruggiero

Version 1 posted 03 April 2020

775

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Physical Chemistry

Working Paper

Assessing the Performance of Density Functional Theory Methods on the Prediction of Low-Frequency Vibrational Spectra

Peter Banks, Zihui Song, Michael Ruggiero

Version 1 posted 24 January 2020

635

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1

Citations

Materials Chemistry

Working Paper

Untangling the Fundamental Electronic Origins of Non-Local Electron-Phonon Coupling in Organic Semiconductors

Peter Banks, Gabriele D'Avino, Guillaume Schweicher, Jeff Armstrong, Chrisitian Ruzie, Jong Won Chung, Chizuru Sawabe, Jeong-Il Park, Toshihiro Okamoto, Jun Takeya, Henning Sirringhaus, Michael Ruggiero

Version 1 posted 05 April 2023

269

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Materials Science

Working Paper

Side-chain torsional dynamics strongly influence charge transport in organic semiconductors

Peter Banks, Adam Dyer, Adam Whalley, Michael Ruggiero

Version 1 posted 09 September 2022

156

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7 results in Peter Banks in Authors: Peter Banks

Interrogation of the Intermolecular Forces that Drive Bulk Properties of Molecular Crystals with Terahertz Spectroscopy and Density Functional Theory

The Necessity of Periodic Boundary Conditions for the Accurate Calculation of Crystalline Terahertz Spectra

Spatially Resolving Anharmonic Lattice Dynamics in Molecular Crystals With X-Ray Diffraction and Terahertz Spectroscopy

Thermoelasticity in Organic Semiconductors Determined with Terahertz Spectroscopy and Quantum Quasi-Harmonic Simulations

Assessing the Performance of Density Functional Theory Methods on the Prediction of Low-Frequency Vibrational Spectra

Untangling the Fundamental Electronic Origins of Non-Local Electron-Phonon Coupling in Organic Semiconductors

Side-chain torsional dynamics strongly influence charge transport in organic semiconductors

7 results in Authors: Peter Banks