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10 results in Authors: Christine Isborn

Physical Chemistry

Working Paper

The Effect of Ions on the Optical Absorption Spectra of Aqueously Solvated Chromophores

Sapana Soni, Tim J. Zuehlsdorff, Michael J. Servis, Christine Isborn, Aurora Clark

Version 1 posted 20 May 2019

705

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Theoretical and Computational Chemistry

Working Paper

The Influence of Polarization on the Spectral Density

Tim Zuehlsdorff, Hanbo Hong, Liang Shi, Christine Isborn

Version 1 posted 06 November 2019

447

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Theoretical and Computational Chemistry

Working Paper

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

518

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Theoretical and Computational Chemistry

Working Paper

Determining Partial Atomic Charges for Liquid Water: Assessing Electronic Structure and Charge Models

Bowen Han, Christine Isborn, Liang Shi

Version 1 posted 19 October 2020

438

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Theoretical and Computational Chemistry

Working Paper

Size-Dependent Errors in Real-Time Electron Density Propagation

Karnamohit Ranka, Christine M. Isborn

Version 3 posted 17 January 2023

282

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Physical Chemistry

Working Paper

Incorporating Polarization and Charge Transfer into a Point Charge Model for Water using Machine Learning

Bowen Han, Christine M. Isborn, Liang Shi

Version 1 posted 29 December 2022

158

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Theoretical and Computational Chemistry

Working Paper

Axial H-bonding Solvent Controls Inhomogeneous Spectral Broadening, Peripheral H-bonding Solvent Controls Vibronic Broadening: Cresyl Violet in Methanol

Christopher A. Myers, Shao-Yu Lu, Sapana Shedge, Arthur Pyuskulyan, Katherine Donahoe, Liang Shi, Christine M. Isborn

Version 1 posted 06 March 2024

125

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Materials Science

Working Paper

Quantitative Measurement of Cation-Mediated Adhesion of DNA to Anionic Surfaces

Xian Hao, Qufei Gu, Christine Isborn, Makenzie Long, Tao Ye

Version 1 posted 16 November 2023

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Theoretical and Computational Chemistry

Working Paper

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

405

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Theoretical and Computational Chemistry

Working Paper

Nonlinear Spectroscopy in the Condensed Phase: The Role of Duschinsky Rotations and Third Order Cumulant Contributions

Tim Zuehlsdorff, Hanbo Hong, Liang Shi, Christine Isborn

Version 1 posted 15 May 2020

493

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10 results in Christine Isborn in Authors: Christine Isborn

The Effect of Ions on the Optical Absorption Spectra of Aqueously Solvated Chromophores

The Influence of Polarization on the Spectral Density

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

Determining Partial Atomic Charges for Liquid Water: Assessing Electronic Structure and Charge Models

Size-Dependent Errors in Real-Time Electron Density Propagation

Incorporating Polarization and Charge Transfer into a Point Charge Model for Water using Machine Learning

Axial H-bonding Solvent Controls Inhomogeneous Spectral Broadening, Peripheral H-bonding Solvent Controls Vibronic Broadening: Cresyl Violet in Methanol

Quantitative Measurement of Cation-Mediated Adhesion of DNA to Anionic Surfaces

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

Nonlinear Spectroscopy in the Condensed Phase: The Role of Duschinsky Rotations and Third Order Cumulant Contributions

10 results in Authors: Christine Isborn