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  1. 5561
    “…These lead to open-shell monocationic structures involving midgap HOMOs with densities on the carbene moiety. Both neutral and cationic forms of the carbenes are energetically separate from the MoS(2) substrate, thus useful for optical manipulation. …”
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    Localized π Surface States on 2D Molybdenum Disulfide from Carbene-Functionalization as a Qubit Design Strategy
  2. 5562
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    Gonorrhoea in Greenland: geographic differences in diagnostic activity and incidence of gonorrhoea in 2015
  3. 5563
    “…Analysis of orbital energies, specifically those of the highest occupied molecular orbitals (HOMOs), as well as the deformation energies of each of the ligands, were also considered. …”
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    Isomers of Alkali Metal (Methylbenzyl)allylamides: A Theoretical Perspective
  4. 5564
    “…The deactivation of either hole or electron transfer coupling is a consequence of the zero inter-orbital overlap between the highest occupied molecular orbitals (HOMOs) or lowest unoccupied molecular orbitals (LUMOs) of the monomers possessing gerade symmetry. …”
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    Mutually exclusive hole and electron transfer coupling in cross stacked acenes
  5. 5565
    “…The combination of similarly structured HOMOs and non‐resonant tunnelling mechanism accounts for the remarkably similar conductance values across the chemically distinct members of the family 2–5.…”
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    Single‐Molecule Conductance Studies of Organometallic Complexes Bearing 3‐Thienyl Contacting Groups
  6. 5566
    “…Calculations using density functional theory showed that the title compounds HOMOs and LUMOs are situated on imidazopyridine-pyrazoline and nitrophenyl rings, respectively. …”
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    De Novo Design of Imidazopyridine-Tethered Pyrazolines That Target Phosphorylation of STAT3 in Human Breast Cancer Cells
  7. 5567
    “…The structural modifications revealed a significant electronic contribution in tuning the HOMOs and LUMOs of the derivatives with lowered energy gaps and wider absorption spectra. …”
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    Exploration of nonlinear optical enhancement in acceptor–π–donor indacenodithiophene based derivatives via structural variations: a DFT approach
  8. 5568
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    Improved survival of head and neck cancer patients in Greenland
  9. 5569
    por Wamser, Carl C., Ghosh, Abhik
    Publicado 2022
    “…[Image: see text] The Gouterman four-orbital model conceptualizes porphyrin UV–visible spectra as dominated by four frontier molecular orbitals—two nearly degenerate HOMOs and two exactly degenerate LUMOS under D(4h) symmetry. …”
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    The Hyperporphyrin Concept: A Contemporary Perspective
  10. 5570
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    Genetic rearrangements, hotspot mutations, and microRNA expression in the progression of metastatic adenoid cystic carcinoma of the salivary gland
  11. 5571
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    F(eNO)-based asthma management results in faster improvement of airway hyperresponsiveness
  12. 5572
    “…Overexpressed chOPTN not only inhibits poly I:C or homos-induced human IFN-β promoter activation in 293T cells but also suppresses poly I:C, infectious bursal disease virus (IBDV) genome double-strand RNA (dsRNA), and chMDA5-induced chicken IFN-β (chIFN-β) promoter activation. …”
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    Chicken optineurin suppresses MDA5-mediated interferon β production
  13. 5573
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    Acute otitis media and pneumococcal vaccination – an observational cross-sectional study of otitis media among vaccinated and unvaccinated children in Greenland
  14. 5574
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    Postoperative Chronic Hypoparathyroidism and Quality of Life After Total Thyroidectomy
  15. 5575
    “…Analysis of the alkyne and vinylidene complex HOMOs show that the equilibrium between the isomers can be tuned by the P–Rh–P bite angle of the [Rh(pincer)](+) fragment. …”
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    DFT calculations bring insight to internal alkyne-to-vinylidene transformations at rhodium PNP- and PONOP-pincer complexes
  16. 5576
    “…The calculation results indicate that the shapes and energy levels of the highest occupied molecular orbitals (HOMOs), lowest unoccupied molecular orbitals (LUMOs), and LUMOs+1 for the monoanion and dianion forms are similar and thus DCF-MPYA and FL exhibit almost the same luminescence properties. …”
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    Investigation on fluorescein derivatives with thermally activated delayed fluorescence and their applications in imaging
  17. 5577
    “…Moreover, transition density matrix (TDM) and density of state (DOS) data also supported the efficient charge transition origination from HOMOs to LUMOs. Open circuit voltage (V(oc)) was also calculated for all the aforesaid compounds to check the efficiency, and significant results were seen (1.633–1.549 V). …”
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    Enhancing the Photovoltaic Properties via Incorporation of Selenophene Units in Organic Chromophores with A(2)-π(2)-A(1)-π(1)-A(2) Configuration: A DFT-Based Exploration
  18. 5578
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    Incidence of Otitis Media in a Contemporary Danish National Birth Cohort
  19. 5579
    “…X-ray structural analysis of galectin-8N in complex with one benzimidazole- and one quinoline-galactal derivative at 1.52 and 2.1 Å together with molecular dynamics simulations and quantum mechanical calculations of galectin-8N in complex with the benzimidazole derivative revealed orbital overlap between a NH LUMO of Arg45 with electron rich HOMOs of the olefin and O4 of the d-galactal. Such overlap is hypothesized to contribute to the high affinity of the d-galactal-derived ligands for galectin-8N. …”
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    Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain
  20. 5580
    “…Frontier orbital distributions of copper(ii) complex indicate that HOMOs are mainly localized at Ibu-phen, while its LUMOs are distributed at LC. …”
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    Experimental and theoretical evaluation on the antioxidant activity of a copper(ii) complex based on lidocaine and ibuprofen amide-phenanthroline agents
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