Ali Abou Taka

9PUBLICATIONS
16CO-AUTHORS
Condensed matter modelling and density functional theorySynchrotronsOrganic semiconductorsPhotonics, optoelectronics and optical communicationsNonlinear optics and spectroscopy
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Publications (9)

|Jan 12, 2026
Excitation/Relaxation Analysis of Electronic Transitions Using Difference Density Natural Orbitals.

Andrew J Bovill, Ali Abou Taka, Hassan Harb

|Dec 03, 2025
Exploring Anomalous Photoelectron Angular Distributions in the Photoelectron Spectra of Gd3O3-: Study of Gd3O2- and Gd3O3- Using Photoelectron Spectroscopy and Density Functional Theory Calculations.

Caleb D Huizenga, Shivangi Vaish, Christian Dwyer

|May 19, 2025
Quantifying Design Principles for Light-Emitting Materials with Inverted Singlet-Triplet Energy Gaps.

Varun Rishi, Ali Abou Taka, Hrant P Hratchian

|Apr 30, 2024
Site-Specific Photochemistry along a Protonated Peptide Scaffold.

Casey D Foley, Chin Lee, Ali Abou Taka

|Dec 04, 2023
Ground-State Orbital Analysis Predicts S1 Charge Transfer in Donor-Acceptor Materials.

Ali Abou Taka, John M Herbert, Laura M McCaslin

|Oct 04, 2023
Comparing the structures and photophysical properties of two charge transfer co-crystals.

Ali Abou Taka, Joseph E Reynolds, Neil C Cole-Filipiak

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Frequent Collaborators

6 joint publications

Hrant P Hratchian

4 joint publications

Laura M McCaslin

3 joint publications

Caroline Chick Jarrold

1 joint publications

Liang Shi