☰

Hassan Harb - Publications

Affiliations: 
Argonne National Laboratory, Lemont, IL, United States 
Area:
Electronic structure theory, quantum chemistry, lanthanides
Tree Info Similar researchers PubMed Report error

10/19 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  0.406
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  0.68
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  0.607
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  0.658
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  0.662
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  0.657
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  0.657
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  0.589
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  0.67
Low-probability matches (unlikely to be authored by this person)
2014 Hasanayn F, Harb H. A metathesis model for the dehydrogenative coupling of amines with alcohols and esters into carboxamides by Milstein's [Ru(PNN)(CO)(H)] catalysts. Inorganic Chemistry. 53: 8334-49. PMID 25079590 DOI: 10.1021/Ic500743U  0.17
2010 Harb HY, Collins KD, Altur JVG, Bowker S, Campbell L, Procter DJ. SmI2-mediated radical cyclizations directed by a C-Si bond Organic Letters. 12: 5446-5449. PMID 21049913 DOI: 10.1021/Ol102278C  0.156
2021 Hall RL, Harb H. Refining the general comparison theorem for the Klein–Gordon equation International Journal of Modern Physics E. 30: 2150003. DOI: 10.1142/s0218301321500038  0.104
2017 Whitaker L, Harb HY, Pulis AP. One-pot borylation/Suzuki-Miyaura sp-sp cross-coupling. Chemical Communications (Cambridge, England). 53: 9364-9367. PMID 28787047 DOI: 10.1039/c7cc05037b  0.089
2013 Pace V, Rae JP, Harb HY, Procter DJ. NHC-Cu(I) catalysed asymmetric conjugate silyl transfer to unsaturated lactones: application in kinetic resolution. Chemical Communications (Cambridge, England). 49: 5150-2. PMID 23629548 DOI: 10.1039/C3Cc42160K  0.07
2023 El Sayed A, Ruiz M, Harb H, Velasco L. Deep Learning-Based Adaptive Compression and Anomaly Detection for Smart B5G Use Cases Operation. Sensors (Basel, Switzerland). 23. PMID 36679840 DOI: 10.3390/s23021043  0.047
2019 Hall RL, Harb H. General comparison theorems for the Klein-Gordon equation in d dimensions The European Physical Journal Plus. 134. DOI: 10.1140/epjp/i2019-12833-5  0.027
2020 Harb H, Mroue H, Mansour A, Nasser A, Motta Cruz E. A Hadoop-Based Platform for Patient Classification and Disease Diagnosis in Healthcare Applications. Sensors (Basel, Switzerland). 20. PMID 32235657 DOI: 10.3390/s20071931  0.023
2002 Snyder E, Harb H. In-house support of Medrad dye injectors. Biomedical Instrumentation & Technology. 36: 409-10. PMID 12491961  0.02
Hide low-probability matches.