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6 results in Authors: Ali Abou Taka

Photoelectron Spectra of Gd2O2− and Non-Monotonic Photon-Energy Dependent Variations in Populations of Close-Lying Neutral States

Jarrett L. Mason, Hassan Harb, Ali Abou Taka, Abbey McMahon, Caleb D. Huizenga, Hector H. Corzo, Hrant Hratchian, Caroline Chick Jarrold

Version 1 posted 16 November 2020

261

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Theoretical and Computational Chemistry

Working Paper

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

331

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Citations

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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Physical Chemistry

Working Paper

Unveiling the Coexistence of Cis and Trans Isomers in the Hydrolysis of ZrO2: A Coupled DFT and High-Resolution Photoelectron Spectroscopy Study

Ali Abou Taka, Mark Babin, Xianghai Sheng, Jessalyn DeVine, Daniel Neumark, Hrant Hratchian

Version 2 posted 04 December 2020

688

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Materials Science

Working Paper

Comparing the Structures and Photophysical Properties of Two Charge Transfer Co-crystals

Laura McCaslin, Ali Abou Taka, Joseph E. Reynolds III, Neil C. Cole-Filipiak, Mohana Shivanna, Christine J. Yu, Patrick Feng, Mark D. Allendorf, Krupa Ramasesha, Vitalie Stavila

Version 1 posted 31 July 2023

205

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Materials Chemistry

Working Paper

Ground State Orbital Analysis Predicts S1 Charge Transfer in Donor–Acceptor Materials

Ali Abou Taka, John M. Herbert, Laura M. McCaslin

Version 3 posted 12 October 2023

2,189

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6 results in Ali Abou Taka in Authors: Ali Abou Taka

Photoelectron Spectra of Gd2O2− and Non-Monotonic Photon-Energy Dependent Variations in Populations of Close-Lying Neutral States

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

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

Unveiling the Coexistence of Cis and Trans Isomers in the Hydrolysis of ZrO2: A Coupled DFT and High-Resolution Photoelectron Spectroscopy Study

Comparing the Structures and Photophysical Properties of Two Charge Transfer Co-crystals

Ground State Orbital Analysis Predicts S1 Charge Transfer in Donor–Acceptor Materials

6 results in Authors: Ali Abou Taka