“…Butler's cyclopolymerization protocol was used to synthesize homo and copolymers of cysteine residues and diallyldimethylammonium chloride (DADMAC) using water as a solvent and excellent yields were obtained. …”
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“…The strongly electron-accepting nature of the TzBT unit lowers the lowest unoccupied molecular orbital (LUMO) energy of P1 and P2 relative to that of the BT analog (PBDT-BT), without altering the energy of the highest occupied molecular orbital (HOMO). Despite the smaller optical band gaps, bulk heterojunction organic solar cells fabricated using these polymers in a PC(71)BM blend showed high open-circuit voltages. …”
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“…The alignment of the molecular HOMO with respect to the QD conduction band resulted in the formation of a new charge-transfer transition from which UC can be promoted. …”
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“…In addition, 1 exhibits good Lewis acid catalytic activity for the synthesis of cyclohexanone ethylene ketal with 95% conversion. The HOMO–LUMO gap (E(g)) of 1 is 2.34 eV calculated using the Kubelka–Munk equation (Fhν)(0.5), indicating that its forbidden bandwidth belongs to the semiconductor category. …”
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“…The studied superatom compounds feature large bond energies, binding energies, and HOMO–LUMO gaps, which not only reflect their stability but indicate strong interactions between Al(3) and (super)atoms. …”
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“…The theoretical results show that divalent Fe(ii) ions coordinating in the pore centre among three triazine units form discrete dopant bands and S dopants substituting the N in triazine skeletons excite much stronger delocalized HOMO and LUMO states, facilitating the migration of photogenerated charge carriers, thus enhancing the visible-light driven photocatalytic performance.…”
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“…By introducing the donor–acceptor structure, PFBTBr shows a lower lying highest occupied molecular orbital (HOMO) level and a broad absorption from 300 to 700 nm. …”
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“…Additionally, SQUID magnetometry suggests that 1 possesses a manifold of closely-spaced electronic states near the HOMO–LUMO gap. In situ monitoring by ESI-MS and (31)P{(1)H} NMR spectroscopy reveal that 1 forms via the intermediacy of smaller APNCs, including [Ni(8)S(5)(PEt(3))(7)] and [Ni(26)S(14)(PEt(3))(10)] (2). …”
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“…Density functional theory reveals that the striking ability of mixed Pb/coinage metal Zintl clusters to oligomerize and, in the case of Au, to act as a site of nucleation for additional metal atoms, is a direct consequence of their nd(10)(n + 1)s(0) configuration, which generates both a low-lying (n + 1)s-based LUMO and also a high-lying Pb-centered HOMO. Cluster growth and nucleation is then driven by this amphoteric character, allowing the clusters to form donor–acceptor interactions between adjacent icosahedral units or to additional metal atoms.…”
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“…To overcome these challenges, we introduce ITAS, or Integrated Transcript Annotation for Small RNA, a filtered, corrected and integrated transcript annotation containing information on several types of small RNAs, including tRNA-derived small RNA, for several species (Homo sapiens, Rattus norvegicus, Mus musculus, Drosophila melanogaster, Caenorhabditis elegans). …”
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“…The structure not only underlines that within the family of S9 proteases homo-multimerization acts as a crucial tool for substrate selection, but it will also allow drug design targeting of the ubiquitin-proteasome system.…”
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“…Thermodynamic parameters, NBO analysis data and HOMO/LUMO images for this compound were also presented. …”
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“…Polymer PQ1 presents not only a strong intramolecular charge transfer effect, which is beneficial for the charge transport within single molecules but also a narrow electrochemical band gap and a high highest occupied molecular orbital (HOMO) energy level. In addition, the optical absorption study indicates that the PQ1 film exhibits good aggregation, which is an advantage for the charge transport between neighboring molecules. …”
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“…From application of radial pCOMB to an oligomeric transcription factor and DNA repair protein, we demonstrate that homo-oligomer formation differentially regulates chromatin accessibility and interaction with the DNA template.…”
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“…The crown of specialization, Homo sapiens, completed this post-unicellular stage of development, while in the genome all the potential for the next stage of development, which can be called the stage of balanced coexistence of autonomous and integrative dominants within a single whole. …”
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“…Molecular orbital calculations, such as the HOMO–LUMO energy gap and the mapping of molecular electrostatic potential surfaces (MEP), were performed similarly to DFT calculations. …”
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“…By examining and following the footsteps of coronaviruses in different works of literature, we found that the first homo that was infected with the coronavirus was Neanderthal. …”
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“…Enantiomerically enriched 3‐silyloxy‐substituted secondary alkyl iodides gave after an exchange reaction with sBu(2)Mg stereodefined dialkylmagnesiums that after quenching with various electrophiles furnished various 1,3‐stereodefined products including homo‐aldol products (99 % dr and 98 % ee). Mechanistic studies confirmed a radical pathway for these new iodine/magnesium‐exchange reactions.…”
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“…Surprisingly, the arrangement of the inner Rh core seems to play a dominant role on nanoclusters’ physical features like the HOMO‐LUMO gap and magnetic moment. Strong charge separations are recovered within the nanoalloys suggesting the existence of charge‐transfer transitions.…”
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“…The frontier orbital gap, namely HOMO (highest occupied molecular orbital)–LUMO (lowest unoccupied molecular orbital) gap is the smallest for 1,4-benzoquinone. …”
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