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Hassan Harb - Publications

Affiliations: 
Argonne National Laboratory, Lemont, IL, United States 
Area:
Electronic structure theory, quantum chemistry, lanthanides
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10 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Lee AS, Elliott S, Harb H, Ward L, Foster I, Curtiss L, Assary RS. : A First-Principles Thermochemical Descriptor for Predicting Molecular Synthesizability. Journal of Chemical Information and Modeling. PMID 38359461 DOI: 10.1021/acs.jcim.3c01583  0.584
2021 Mason JL, Harb H, Abou Taka A, Huizenga CD, Corzo HH, Hratchian HP, Jarrold CC. New Photoelectron-Valence Electron Interactions Evident in the Photoelectron Spectrum of GdO. The Journal of Physical Chemistry. A. 125: 9892-9903. PMID 34730978 DOI: 10.1021/acs.jpca.1c07818  0.674
2021 Harb H, Hratchian HP. ΔSCF Dyson orbitals and pole strengths from natural ionization orbitals. The Journal of Chemical Physics. 154: 084104. PMID 33639731 DOI: 10.1063/5.0040454  0.608
2021 Mason JL, Harb H, Taka AA, McMahon AJ, Huizenga CD, Corzo H, Hratchian HP, Jarrold CC. 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. PMID 33463153 DOI: 10.1021/acs.jpca.0c11002  0.655
2019 Mason JL, Harb H, Topolski JE, Hratchian HP, Jarrold CC. Exceptionally Complex Electronic Structures of Lanthanide Oxides and Small Molecules. Accounts of Chemical Research. PMID 31702894 DOI: 10.1021/Acs.Accounts.9B00474  0.659
2019 Harb H, Thompson LM, Hratchian HP. On the linear geometry of lanthanide hydroxide (Ln-OH, Ln = La-Lu). Physical Chemistry Chemical Physics : Pccp. PMID 31552934 DOI: 10.1039/C9Cp01560D  0.664
2019 Cai X, Tohti A, Ramirez C, Harb H, Fettinger JC, Hratchian HP, Stokes BJ. Dispersion-Controlled Regioselective Acid-Catalyzed Intramolecular Hydroindolation of cis-Methindolylstyrenes To Access Tetrahydrobenzo[ cd]indoles. Organic Letters. PMID 30807191 DOI: 10.1021/Acs.Orglett.9B00043  0.529
2019 Mason JL, Harb H, Huizenga CD, Ewigleben JC, Topolski JE, Hratchian HP, Jarrold CC. Electronic and Molecular Structures of the CeB Monomer. The Journal of Physical Chemistry. A. PMID 30788965 DOI: 10.1021/Acs.Jpca.8B12399  0.654
2018 Mason JL, Harb H, Topolski JE, Hratchian HP, Jarrold CC. 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. PMID 30518216 DOI: 10.1021/Acs.Jpca.8B10446  0.588
2016 Thompson LM, Harb H, Hratchian HP. Natural ionization orbitals for interpreting electron detachment processes. The Journal of Chemical Physics. 144: 204117. PMID 27250289 DOI: 10.1063/1.4951738  0.673
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