Hrant P. Hratchian, Ph. D.
Affiliations: | Chemistry & Chemical Biology | University of California, Merced, Merced, CA, United States |
Area:
Electronic structure theory, quantum chemistry, transition metals, mechanismWebsite:
http://faculty.ucmerced.edu/hhratchianGoogle:
"Hrant Hratchian"Mean distance: 8.62
Parents
Sign in to add mentor| Maria C. Milletti | research assistant | 1998-2001 | Eastern Michigan University | |
| H. Bernhard Schlegel | grad student | 2001-2005 | Wayne State | |
| (Development of new theoretical tools for navigating ab initio potential energy surfaces and applications of electronic structure methods to organometallic and inorganic chemistries.) | ||||
| Krishnan Raghavachari | post-doc | 2005-2008 | Indiana University Bloomington | |
Children
Sign in to add trainee| Ali AbouTaka | grad student | UC Merced | |
| Xianghai Sheng | grad student | 2014-2019 | |
| Samantha Bidwell | grad student | 2015-2021 | UC Merced |
| Hassan Harb | grad student | 2015-2021 | UC Merced |
| Abigail Owusuwaa Gyamfi | grad student | 2021-2026 | Department of Natural Sciences, University of California Merced |
| Lee M. Thompson | post-doc | 2014-2017 | University of Louisville |
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Publications
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| Kinyua AM, Hratchian HP, Jarrold CC, et al. (2025) Photoelectron-remnant interaction effect on remnant wavefunction in low-kinetic energy electron detachment events. The Journal of Chemical Physics. 162 |
| Hratchian HP, Karton A, Mayhall NJ. (2024) Tribute to Krishnan Raghavachari. The Journal of Physical Chemistry. A. 128: 2523-2525 |
| Baker SI, Yaghoubi M, Bidwell SL, et al. (2022) Enhanced Reactivity for Aromatic Bromination via Halogen Bonding with Lactic Acid Derivatives. The Journal of Organic Chemistry. 87: 8492-8502 |
| Abou Taka A, Lu SY, Gowland D, et al. (2022) Comparison of Linear Response Theory, Projected Initial Maximum Overlap Method, and Molecular Dynamics-Based Vibronic Spectra: The Case of Methylene Blue. Journal of Chemical Theory and Computation |
| Corzo HH, Abou Taka A, Pribram-Jones A, et al. (2021) Using projection operators with maximum overlap methods to simplify challenging self-consistent field optimization. Journal of Computational Chemistry |
| Mason JL, Harb H, Abou Taka A, et al. (2021) New Photoelectron-Valence Electron Interactions Evident in the Photoelectron Spectrum of GdO. The Journal of Physical Chemistry. A. 125: 9892-9903 |
| Harb H, Hratchian HP. (2021) ΔSCF Dyson orbitals and pole strengths from natural ionization orbitals. The Journal of Chemical Physics. 154: 084104 |
| Mason JL, Harb H, Taka AA, et al. (2021) Photoelectron Spectra of GdO and Nonmonotonic Photon-Energy-Dependent Variations in Populations of Close-Lying Neutral States. The Journal of Physical Chemistry. A. 125: 857-866 |
| Abou Taka A, Babin MC, Sheng X, et al. (2020) Unveiling the coexistence of cis- and trans-isomers in the hydrolysis of ZrO: A coupled DFT and high-resolution photoelectron spectroscopy study. The Journal of Chemical Physics. 153: 244308 |
| Sheng X, Thompson LM, Hratchian HP. (2019) Assessing the Calculation of Exchange Coupling Constants and Spin Crossover Gaps Using the Approximate Projection Model to Improve Density Functional Calculations. Journal of Chemical Theory and Computation |