“…Samples obtained via different synthesis methods act as examples of homo‐ and inhomogeneous doping. The sample quality was verified by X‐ray diffraction. …”
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“…It has also been demonstrated that the interaction between two Cu clusters is anisotropic, which is attributed to their charge distribution, especially the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) of Cu clusters. …”
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“…The PdL(2)Cl(2) complex emerges exclusively in the trans arrangement showing dynamic interconversion between its homo- and heterochiral forms as evidenced by (31)P NMR. …”
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“…We introduce the underlying principles and test its predictive capabilities on the Response Regulator family, whose subfamilies have been previously shown to display distinct, specific homo-dimerization patterns. Our results show that this reweighting scheme is effective in assigning structural features known a priori to subfamilies, even when sequence data is relatively scarce. …”
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“…During a visual search task, we recorded the eye movements of human participants (Homo sapiens) as they searched for faces with directed gaze within arrays of faces with averted gaze or the reverse; the faces were large and upright, small and upright, or large and inverted. …”
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“…The DFT/B3LYP/6–311 G(d,p) method was used to determine the HOMO–LUMO energy levels. The mol­ecular electrostatic potential surfaces were investigated by Hirshfeld surface analysis and two-dimensional fingerprint plots were used to analyse the inter­molecular inter­actions in the mol­ecule.…”
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“…In the present work, we performed a complementary quantum mechanical (QM) study to describe the mechanism by which deprotonated pralidoxime (2-PAM) could reactivate human (Homo sapiens sapiens) acetylcholinesterase (HssAChE) inhibited by the nerve agent VX. …”
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“…The title compound exhibits blue-light emission, as indicated by photoluminescence data, and a HOMO–LUMO energy separation of 2.23 eV was obtained from its diffuse reflectance spectrum.…”
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“…The results show that the HOMO and LUMO energy levels are appropriate for using the compounds as hole-transport materials in thin-film devices, in particular, organic and perovskite solar cells.…”
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“…Our results oppose the widely accepted view that LAs catalyze the Diels–Alder reaction by enhancing the donor–acceptor [HOMO(diene)–LUMO(dienophile)] interaction and constitute a novel physical mechanism for this indispensable textbook organic reaction.…”
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“…This level of population continuity is rare in recent human populations but may provide a good model for the evolution of Homo and other large primates over similar timespans in structured populations throughout Africa.…”
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“…By means of electrical stimulation of the brain and psychopharmacological challenges he carved out seven primary emotional systems being highly conserved across different species of mammals including homo sapiens. The primary emotional systems are called SEEKING, CARE, LUST, PLAY (positive emotions), and FEAR, RAGE, SADNESS (negative emotions). …”
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“…The variation of the HOMO-LUMO band gap is explored for varying packing arrangements of the 4mod BT-4TIC donor-acceptor molecule pair, by means of a high-throughput ab-initio random structure search of packing possibilities. 350 arrangements of the dimer have been relaxed from initial random dispositions, using non-local density-functional theory. …”
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“…Additionally, we provide a comparative analysis of Camelus and Homo sapiens IDPs/IDRs for the sake of highlighting the distinctive use of disorder in each genus. …”
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“…Voltage-gated potassium (Kv) channels in the KCNQ (Kv7) family are essential features of a broad range of excitable and non-excitable cell types and are found in organisms ranging from Hydra vulgaris to Homo sapiens. Although they are firmly in the superfamily of S4 domain-bearing voltage-sensing ion channels, KCNQ channels are highly sensitive to a range of endogenous and exogenous small molecules that act directly on the pore, the voltage-sensing domain, or the interface between the two. …”
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“…This “Janus” role of C/EBPs depends on different factors, such as the type of tumor, the isoform/s expressed in cells, the type of dimerization (homo- or heterodimerization), the presence of inhibitory elements, and the ability to inhibit the expression of other tumor suppressors. …”
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“…The strength of the intermolecular interactions is evaluated in term of energy decomposition of the total interaction energy ΔE(int) between molecules, which are mainly governed by electrostatic interactions. The HOMO–LUMO gaps explain that the possible charge transfer interactions that take place within the molecules are responsible for the molecular reactivity of the studied molecules. …”
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“…The number of these six trans-membrane domain proteins in sequenced plant genomes ranges from 39 to 141, rendering the size of plant families larger than that found in Saccharomyces cerevisiae and comparable with Homo sapiens. Indeed, comparison of plant MCs with those from these better characterized species has been highly informative. …”
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“…This review is an attempt to collect and analyse all the reported phenotypes of each ribosomal protein mutant in several eukaryotes (Saccharomyces cerevisiae, Caenorhabditis elegans, Drosophila melanogaster, Danio rerio, Mus musculus, Homo sapiens). These phenotypes were processed with unbiased computational approaches to reveal associations between different phenotypes and the contributions of individual ribosomal protein genes. …”
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“…Direct comparison with the structurally related, yet neutral, 1‐mesityl borole reveals strong Lewis acidity, reduced HOMO–LUMO gaps, and increased anti‐aromatic character.…”
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