Hrant P. Hratchian, Ph. D.

Chemistry & Chemical Biology University of California, Merced, Merced, CA, United States 
Electronic structure theory, quantum chemistry, transition metals, mechanism
"Hrant Hratchian"
Mean distance: 8.62


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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


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Xianghai Sheng grad student 2014-2019 Google
Lee M. Thompson post-doc 2014-2017 University of Louisville
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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
Thompson LM, Jarrold CC, Hratchian HP. (2017) Explaining the MoVO4(-) photoelectron spectrum: Rationalization of geometric and electronic structure. The Journal of Chemical Physics. 146: 104301
Petrone A, Cimino P, Donati G, et al. (2016) On the driving force of the excited state proton shuttle in the Green Fluorescent Protein: a TD-DFT study of the intrinsic reaction path. Journal of Chemical Theory and Computation
Thompson LM, Harb H, Hratchian HP. (2016) Natural ionization orbitals for interpreting electron detachment processes. The Journal of Chemical Physics. 144: 204117
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