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, mechanism
Website:
http://faculty.ucmerced.edu/hhratchian
Google:
"Hrant Hratchian"
Mean distance: 8.62
 
SNBCP

Parents

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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

Children

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Xianghai Sheng grad student 2014-2019 Google
Hassan Harb grad student 2015-2021 UC Merced
Lee M. Thompson post-doc 2014-2017 University of Louisville
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Publications

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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
Mason JL, Harb H, Topolski JE, et al. (2019) Exceptionally Complex Electronic Structures of Lanthanide Oxides and Small Molecules. Accounts of Chemical Research
Harb H, Thompson LM, Hratchian HP. (2019) On the linear geometry of lanthanide hydroxide (Ln-OH, Ln = La-Lu). Physical Chemistry Chemical Physics : Pccp
Cai X, Tohti A, Ramirez C, et al. (2019) Dispersion-Controlled Regioselective Acid-Catalyzed Intramolecular Hydroindolation of cis-Methindolylstyrenes To Access Tetrahydrobenzo[ cd]indoles. Organic Letters
Mason JL, Harb H, Huizenga CD, et al. (2019) Electronic and Molecular Structures of the CeB Monomer. The Journal of Physical Chemistry. A
Mason JL, Harb H, Topolski JE, et al. (2018) A Tale of Two Stabilities: How One Boron Atom Affects a Switch in Bonding Motifs in CeOB (x = 2, 3) Complexes. The Journal of Physical Chemistry. A
Topolski JE, Kafader JO, Marrero-Colon V, et al. (2018) Exotic electronic structures of SmCeO (x = 0-3; y = 2-4) clusters and the effect of high neutral density of low-lying states on photodetachment transition intensities. The Journal of Chemical Physics. 149: 054305
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