“…The frontier orbitals, which include both the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), play an essential role in molecular interactions and chemical reactivity of molecule. …”
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“…The last speciation event is Homo sapiens, with the earliest fossils dated near the end of the last of these two glacial phases.…”
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“…Intracellular influenza virus nucleoprotein (NP) is characterized by a high efficiency of homo-polymers formation, however their antigenic structure is still incompletely known. …”
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“…When M1 self-association was examined, all three domains of the protein participated in homo-oligomerization although, again, the middle domain was dominant and self-associated efficiently in the absence of the N- and C-terminal domains. …”
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“…The HOMO and LUMO surfaces were obtained from DFT calculations.…”
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“…This in silico study describes the potential phosphorylation, o-glycosylation and their possible interplay sites on conserved Ser/Thr residues in various subtypes of linker histone H1 in Homo sapiens.…”
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“…Where quantum yield is high, isosurfaces have a charge distribution similar to the highest occupied molecular orbital (HOMO) of indole, which is the dominant fluorescent ground state of the (1)L(a) transition dipole moment. …”
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“…Our results showed that the response of ssDNA-decorated devices to DA, irrespective of the presence or absence of UA, was DNA sequence dependent and exhibited the trend: G > A > C and GA > GT > AC > CT, for homo- and repeated-base sequences, respectively. …”
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“…The presence of the phosphaalkene unit induces a decrease of the HOMO–LUMO gap relative to reference phosphole-containing π systems that lack a P=C substituent.…”
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“…An implication of our study is that the key to understanding the origin of Homo lies in understanding how environmental changes disrupted gracile australopith niches. …”
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“…QTL models for MPPs can also be characterized by the homo- or heterogeneity of variance for polygenic effects. …”
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“…To evaluate the discrimination capability, six type strains of Lactobacillus species and six additional L. brevis strains were used focusing on i) the difference between homo- and hetero-lactic fermentative species and ii) strain-dependent characteristics within L. brevis. …”
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“…Modern humans have large and globular brains that distinguish them from their extinct Homo relatives. The characteristic globularity develops during a prenatal and early postnatal period of rapid brain growth critical for neural wiring and cognitive development. …”
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“…The treatments included the addition of no LAB additive (control), which was deionized water; homo-fermentative LAB alone ((ho)LAB), which was Lactobacillus plantarum alone), and a mixture of homo-fermentative and hetero-fermentative LAB ((he + ho)LAB), which were L. plantarum, Lactobacillus casei, and Lactobacillus buchneri. …”
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“…The parameters such as the Energy of the Highest Occupied Molecular Orbital (E(HOMO)), Energy of the Lowest Unoccupied Molecular Orbital (E(LUMO)), energy gap (ΔE = E(LUMO) - E(HOMO)) and dipole moment (μ) which are related to the corrosion effectivity of the organic compounds whose the molecular geometry and electronic properties are especially studied, were determined by using the density function theory method. …”
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“…We concluded that, biological membranes can accommodate transmembrane homo-dimers with a wide range of hydrophobic lengths. …”
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“…In acidic environments, crystalline supramolecular nanoribbons with dimensions on the order of 500 × 50 × 2 nm form readily, while in basic solution the additional electrostatic repulsion of the ionized hydroxyl reduces assemblies to very small dimensions on the order of only several nanometers. The HOMO/LUMO levels were also found to be sensitive to pH; in acidic media the HOMO/LUMO levels are –5.65 and –3.70 eV respectively versus vacuum, whereas is in basic conditions they are –4.90 and –3.33 eV, respectively. …”
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“…Furthermore, while the presence of F-atoms lowers the energy of the MOs in comparison with those of the L(H) complexes, it does not remarkably affect the highest occupied molecular orbital (HOMO)–lowest unoccupied molecular orbital (LUMO) and HOMO–LUMO + 1 gaps, in agreement with the UV–vis results.…”
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“…The free-standing Au(20) cluster has a unique tetrahedral shape and a large HOMO-LUMO (highest occupied molecular orbital–lowest unoccupied molecular orbital) gap of around 1.8 electron volts. …”
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“…India is located at a critical geographic crossroads for understanding the dispersal of Homo sapiens out of Africa and into Asia and Oceania. …”
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