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Theoretical and Computational Chemistry

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Aurora Pribram-Jones

3 results in Authors: Aurora Pribram-Jones

Theoretical and Computational Chemistry

Good Vibrations: Calculating Excited State Frequencies Using Ground State Self-Consistent Field Models

Ali Abou Taka, Hector Corzo, Aurora Pribram-Jones, Hrant Hratchian

Version 2 posted 27 June 2022

409

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1

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Theoretical and Computational Chemistry

Approximate bounds and temperature dependence of adiabatic connection integrands for the uniform electron gas

Brittany P. Harding, Zachary Mauri, Aurora Pribram-Jones

Version 3 posted 16 February 2022

317

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Theoretical and Computational Chemistry

Comparison of Linear Response Theory, Projected Initial Maximum Overlap Method, and Molecular Dynamics Based Vibronic Spectra: The Case of Methylene Blue

Ali Abou Taka, Shao-Yu Lu, Duncan Gowland, Tim J. Zuehlsdorff, Hector H. Corzo, Aurora Pribram-Jones, Liang Shi, Hrant P. Hratchian, Christine M. Isborn

Version 1 posted 09 November 2021

422

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