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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

523

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Physical Chemistry

Working Paper

Quantum Mechanical Interpretation of the Ultra-Low Energy Methyl-Rotation Dynamics in Porous Metal-Organic Frameworks Probed by Low-Frequency Vibrational Spectroscopy and ab initio Simulations

Qi Li, Adam J. Zaczek, Timothy M. Korter, J. Axel Zeitler, Michael T. Ruggiero

Version 1 posted 19 March 2018

990

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Materials Chemistry

Working Paper

Low-Frequency Vibrational Spectroscopy: A Powerful Tool for Revealing Crystalline Magnetic Structures

Zihui Song, Xudong Liu, Anish Ochani, Suling Shen, Qiqi Li, Yiwen Sun, Michael Ruggiero

Version 2 posted 15 July 2021

407

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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

766

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Physical Chemistry

Working Paper

Fundamentally Intertwined: Anharmonic Intermolecular Interactions Dictate Both Thermal Expansion and Terahertz Lattice Dynamics in Molecular Crystals

Navkiran Juneja, Josephine Hastings, William Stoll, William Brennessel, Salvatore Zarella, Parker Sornberger, Luca Catalano, Timothy Korter, Michael Ruggiero

Version 1 posted 04 July 2024

163

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Physical Chemistry

Working Paper

Exploring the Stability and Disorder in the Polymorphs of L-Cysteine through Density Functional Theory and Vibrational Spectroscopy

John Kendrick, Andrew Burnett

Version 1 posted 28 March 2023

160

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Physical Chemistry

Working Paper

Terahertz Spectroscopy Unambiguously Determines the Orientation of Guest Water Molecules in a Structurally Elusive Metal-Organic Framework

Saheed Ajibade, Luca Catalano, Johanna Kolbel, Daniel Mittleman, Michael Ruggiero

Version 1 posted 20 February 2024

268

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Physical Chemistry

Working Paper

The Calculation of the Infrared and Terahertz Spectrum of Sodium Peroxodisulfate.

John Kendrick, Andrew Burnett

Version 1 posted 05 July 2019

683

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Physical Chemistry

Working Paper

Probing the Mechanochemistry of Metal-Organic Frameworks with Low-Frequency Vibrational Spectroscopy

Wei Zhang, Jefferson Maul, Diana Vulpe, Peyman Z. Moghadam, David Fairen-jimenez, Daniel M. Mittleman, J. Axel Zeitler, Alessandro Erba, Michael Ruggiero

Version 1 posted 10 May 2018

664

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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

148

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14 results in Terahertz in Keywords: Terahertz

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

Quantum Mechanical Interpretation of the Ultra-Low Energy Methyl-Rotation Dynamics in Porous Metal-Organic Frameworks Probed by Low-Frequency Vibrational Spectroscopy and ab initio Simulations

Low-Frequency Vibrational Spectroscopy: A Powerful Tool for Revealing Crystalline Magnetic Structures

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

Fundamentally Intertwined: Anharmonic Intermolecular Interactions Dictate Both Thermal Expansion and Terahertz Lattice Dynamics in Molecular Crystals

Exploring the Stability and Disorder in the Polymorphs of L-Cysteine through Density Functional Theory and Vibrational Spectroscopy

Terahertz Spectroscopy Unambiguously Determines the Orientation of Guest Water Molecules in a Structurally Elusive Metal-Organic Framework

The Calculation of the Infrared and Terahertz Spectrum of Sodium Peroxodisulfate.

Probing the Mechanochemistry of Metal-Organic Frameworks with Low-Frequency Vibrational Spectroscopy

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

14 results in Keywords: Terahertz