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12 results in Authors: Christine Isborn

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

482

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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

724

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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

520

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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

533

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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

710

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Theoretical and Computational Chemistry

Working Paper

Calculating Absorption and Fluorescence Spectra for Chromophores in Solution with Ensemble Franck-Condon Methods

Ajay Khanna, Sapana Shedge, Tim Zuehlsdorff, Christine Isborn

Version 2 posted 01 July 2024

300

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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

147

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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

230

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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

431

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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

380

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12 results in Christine Isborn in Authors: Christine Isborn

The Influence of Polarization on the Spectral Density

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

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

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

Calculating Absorption and Fluorescence Spectra for Chromophores in Solution with Ensemble Franck-Condon Methods

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

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

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

Size-Dependent Errors in Real-Time Electron Density Propagation

12 results in Authors: Christine Isborn