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Hassan Harb

Affiliations: 
Argonne National Laboratory, Lemont, IL, United States 
Area:
Electronic structure theory, quantum chemistry, lanthanides
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Parents

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Hrant P. Hratchian grad student 2015-2021 UC Merced
Rajeev Assary post-doc Argonne National Laboratory
Aurora Pribram-Jones post-doc UC Merced

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Publications

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Lee AS, Elliott S, Harb H, et al. (2024) : A First-Principles Thermochemical Descriptor for Predicting Molecular Synthesizability. Journal of Chemical Information and Modeling
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
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
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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