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Thomas E. Markland

3 results in Authors: Thomas E. Markland

Theoretical and Computational Chemistry

Persistent Homology Metrics Reveal Quantum Fluctuations and Reactive Atoms in Path Integral Dynamics

Yunfeng Hu, Phonemany Ounkham, Ondrej Marsalek, Thomas E. Markland, Bala Krishnamoorthy, Aurora Clark

Version 1 posted 21 January 2021

357

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Theoretical and Computational Chemistry

Optical Spectra in the Condensed Phase: Capturing Anharmonic and Vibronic Features Using Dynamic and Static Approaches

Tim Zuehlsdorff, Andres Montoya-Castillo, Joseph Anthony Napoli, Thomas E. Markland, Christine Isborn

Version 1 posted 13 June 2019

546

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Physical Chemistry

Beyond the Vibrational Stark Effect: Unraveling the Large Redshifts of Alkyne C-H Bond in Solvation Environments

Chu Zheng, Yuezhi Mao, Thomas E. Markland, Steven G. Boxer

Version 1 posted 18 December 2024

168

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