“…The broadened and enhanced absorption, down-shifted highest occupied molecular orbital energy level (E(HOMO)), more planar molecular geometry thus enhanced the aggregation in the film state, but insignificant impact on aggregation in solution and photostability were found after both reducing thiophene π-bridge in PIDTT-TBT and further fluorination in PIDTT-TFBT. …”
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“…Dipole moment, average polarizability, anisotropy, first-order molecular hyperpolarizability, second-order molecular polarizability, HOMO and LOMO energy gap, molar refractivity, chemical hardness, chemical softness, electronic chemical potential, electronegativity, electrophilicity index, dielectric constant, electric susceptibility, refractive index and their thermodynamic properties have equally been calculated. …”
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“…Cyclic symmetry is frequent in protein and peptide homo‐oligomers, but extremely rare within a single chain, as it is not compatible with free N‐ and C‐termini. …”
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“…Here, we provide a novel perspective on this debate through a 3D geometric morphometric analysis of shape covariation between the trapezial and proximal first metacarpal articular surfaces of Neanderthals (Homo neanderthalensis) in comparison to early and recent humans (Homo sapiens). …”
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“…It acts by binding DNA as both a homodimer and, in conjunction with other TFs, as a heterodimer. The choice of homo and heterodimeric/ DNA interactions is a critical aspect in the control of the transcriptional program and cell fate outcome. …”
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“…The experimental low-binding-energy cutoff value (highest occupied molecular orbital, HOMO energy) of the ionic liquid ion pairs, which is of great interest, has been measured. …”
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“…PP/SOC is largely divided into Homo-PP/SOC (HPS) based on Homo-PP and Block-PP/SOC (BPS) based on block-PP. …”
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“…This work also provides new molecular design rules for obtaining very high E (T) materials and controlling their HOMO and LUMO energies.…”
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“…In contrast, hopping involving the HOMO dominates the mechanism of charge transport at positive bias, yet it is nearly activationless indicating the junction operates in the inverted Marcus region. …”
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“…We present a versatile approach for building such structures block by block on bilayer sodium chloride (NaCl) films on Cu(111) with the tip of an atomic force microscope, while tracking the structural changes with single-bond resolution. Covalent homo-dimers in cis and trans configurations and homo-/hetero-trimers were selectively synthesized by a sequence of dehalogenation, translational manipulation and intermolecular coupling of halogenated precursors. …”
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“…Catalytic MATα1 subunits associate into kinetically distinct homo-dimers (MAT III) and homo-tetramers (MAT I) that synthesize S-adenosylmethionine in the adult liver. …”
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“…As a result, the TDM of PTFE/OCu/GQD ZTRI and the HOMO/LUMO bandgap energy ΔE were 39.124 Debye and ΔE 0.206 eV, respectively. …”
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“…Considering the highest energy of yellow light (2.25 eV) is lower than the High Occupied Molecular Orbital (HOMO)-Lowest Unoccupied Molecular Orbital (LUMO) gap of WC-1 (2.43 eV). …”
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“…It is found that with the introduction of different π-linkers in the molecule, planarity is maintained and the HOMO–LUMO gap is systematically decreased, which leads to a large NLO response. …”
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“…This reaction is thought to be initiated by the lowest-energy highest occupied molecular orbital (HOMO) to lowest unoccupied molecular orbital (LUMO) transition of the DMDS molecule under far-field light. …”
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“…We analyzed both heterozygous (Het) PKCγ-A24E mice and homozygous (Homo) PKCγ-A24E mice for transcriptomic changes. …”
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“…Chemical reactivity traits including HOMO-LUMO energy gaps, softness, total energy, chemical hardness, electronic chemical potential, and electrophilicity of bioactive substances have all been subjected to analytical investigation. …”
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“…A double-channel (T(1), T(2)) intersystem crossing mechanism with S(1) was found and explained as single-directional CT from the degenerate HOMO−1/HOMO of the guest donor to the LUMO+1 of one of the nearest acceptors. …”
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“…In terms of mechanism, the proton-induced magnetic enhancement should be attributed to strong participation of the coupler BA through its lowest unoccupied molecular orbital (LUMO) with a lower energy level after protonation, and the small HOMO–LUMO (HOMO: highest occupied molecular orbital) gap of the coupler BA through protonation is crucial in explaining such remarkable spin-coupling enhancement. …”
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“…There are two modes of electron transfer between the two orbitals: highest occupied molecular orbital (HOMO) transfer of AEO(9) to lowest unoccupied molecular orbital (LUMO) transfer of anthracite and HOMO transfer of anthracite to LUMO transfer of AEO(9). …”
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