| High-resolution photoelectron spectroscopy of TiO3H2−: Probing the TiO2−+ H2O dissociative adduct JA DeVine, A Abou Taka, MC Babin, ML Weichman, HP Hratchian, ... The Journal of chemical physics 148 (22), 2018 | 25 | 2018 |
| Using projection operators with maximum overlap methods to simplify challenging self‐consistent field optimization HH Corzo, A Abou Taka, A Pribram‐Jones, HP Hratchian Journal of Computational Chemistry 43 (6), 382-390, 2021 | 13 | 2021 |
| Photoelectron Spectra of Gd2O2– and Nonmonotonic Photon-Energy-Dependent Variations in Populations of Close-Lying Neutral States JL Mason, H Harb, AA Taka, AJ McMahon, CD Huizenga, H Corzo, ... The Journal of Physical Chemistry A 125 (3), 857-866, 2021 | 10 | 2021 |
| New Photoelectron–Valence Electron Interactions Evident in the Photoelectron Spectrum of Gd2O– JL Mason, H Harb, A Abou Taka, CD Huizenga, HH Corzo, HP Hratchian, ... The Journal of Physical Chemistry A 125 (45), 9892-9903, 2021 | 6 | 2021 |
| Unveiling the coexistence of structural isomers in the hydrolysis of ZrO2: A combined computational and photoelectron spectroscopy study A Abou Taka, M Babin, X Sheng, J DeVine, D Neumark, H Hratchian Journal of Chemical Physics 153 (244308), 2020 | 3* | 2020 |
| Comparison of Linear Response Theory, Projected Initial Maximum Overlap Method, and Molecular Dynamics-Based Vibronic Spectra: The Case of Methylene Blue A Abou Taka, SY Lu, D Gowland, TJ Zuehlsdorff, HH Corzo, ... Journal of Chemical Theory and Computation 18 (5), 3039-3051, 2022 | 2 | 2022 |
| Ground-State Orbital Analysis Predicts S1 Charge Transfer in Donor–Acceptor Materials A Abou Taka, JM Herbert, LM McCaslin The Journal of Physical Chemistry Letters 14 (49), 11063-11068, 2023 | 1 | 2023 |
| Comparing the structures and photophysical properties of two charge transfer co-crystals A Abou Taka, JE Reynolds, NC Cole-Filipiak, M Shivanna, JY Christine, ... Physical Chemistry Chemical Physics 25 (40), 27065-27074, 2023 | 1 | 2023 |
| Good Vibrations: Calculating Excited State Frequencies Using Ground State Self-Consistent Field Models A Abou Taka, H Corzo, A Pribram-Jones, H Hratchian J. Chem. Theory Comput. 18 (12), 7286–7297, 2022 | 1 | 2022 |
| Design of Charge Transfer Donor-Acceptor Co-Crystals with Long Lived Charge Carriers M Shivanna, A Abou Taka, PE Schrader, K Ramasesha, M Allendorf, ... 245th ECS Meeting (May 26-30, 2024), 2024 | | 2024 |
| Comparing the Structures and Photophysical Properties of Two Charge Transfer Co-crystals L McCaslin, A Abou Taka, JE Reynolds III, NC Cole-Filipiak, M Shivanna, ... | | 2023 |
| A Bottom-Up Approach to Rational Design of Crystalline Materials: Investigation of Vibrational and Electronic Coupling in the Photodynamics of Model Organic Co-Crystals. L McCaslin, A Abou Taka, J Reynolds, N Cole-Filipiak, M Shivanna, ... Sandia National Lab.(SNL-NM), Albuquerque, NM (United States); Sandia …, 2022 | | 2022 |
| Investigating the Electronic Structure and Photophysical Properties of a Novel Donor-Acceptor Cocrystal. L McCaslin, A Abou Taka, J Reynolds, N Cole-Filipiak, P Feng, ... Sandia National Lab.(SNL-NM), Albuquerque, NM (United States); Sandia …, 2022 | | 2022 |
| Computational Studies of Metal Oxide Hydrolysis and Improved Maximum Overlap Methods A Abou Taka University of California, Merced, 2021 | | 2021 |
| Unveiling the coexistence of cis-and trans-isomers in the hydrolysis of ZrO A Abou Taka, MC Babin, X Sheng, JA DeVine, DM Neumark, ... | | 2020 |
| Examination of factors affecting the accuracy of quantum chemical frequency calculations for first-row transition metal compounds A Abou Taka, L Thompson, H Hratchian ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
Hrant P. HratchianUniversity of California, MercedVerified email at ucmerced.edu
