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1561“…Density functional theory (DFT) was used to calculate HOMO–LUMO energy levels of the title compound and its trans isomer.…”
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1562por Conradie, Jeanet“…This data shows that both the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of the neutral molecule are copper based. …”
Publicado 2019
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1563por Mulay, Sandip V., Dishi, Or, Fang, Yuan, Niazi, Muhammad R., Shimon, Linda J. W., Perepichka, Dmitrii F., Gidron, Ori“…We report the first π-conjugated macrocyclic system with an oligofuran backbone. The calculated HOMO–LUMO gap is similar to that of the corresponding linear polymer, indicating a remarkable electron delocalization. …”
Publicado 2019
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1564Enantioselective Iron/Bisquinolyldiamine Ligand-Catalyzed Oxidative Coupling Reaction of 2-Naphthols“…An iron-catalyzed asymmetric oxidative homo-coupling of 2-naphthols for the synthesis of 1,1′-Bi-2-naphthol (BINOL) derivatives is reported. …”
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1565por Cheng, Yinghong“…Since China participated in the Human Genome Project in the 1990s, implications of the debate surrounding the Homo erectus Peking Man’s ancestorship for nationalism wrapped in scientific jargon have been well comprehended by various segments of the society with ultranationalists and a liberal public opinion as the two extremes contesting each other. …”
Publicado 2019
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1566“…Our methodology includes a one-pot tandem domino reaction which provides a trisubstituted cyclopentane with five new completely determined stereocenters, which were determined through 2D homo and heteronuclear NMR and n.O.e. experiments on different compounds specially designed for this purpose, such as a dioxane obtained from a diol. …”
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1567“…These leucine residues enable homo- and heterodimerization between ZIP domain α-helices, generating coiled-coil structures that stabilize interactions between adjacent DNA-binding domains and target DNA substrates. …”
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1568“…After ortho-lithiation and reaction with phthalic anhydride a carboxylic acid was obtained whose Friedel–Crafts acylation and subsequent reductive removal of the oxygen-functionalities resulted in the formation of the target compound. The HOMO–LUMO gap of 6,13-difluoropentacene was determined via UV–vis spectroscopy and compared to other fluorinated pentacenes.…”
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1569por Li, Pei, Li, Xiaotian, Behzadi, Shabnam, Xu, Mengli, Yu, Fan, Xu, Guoyong, Wang, Fuzhou“…Homo- and copolymers of propylene and 1-decene were synthesized by controlled chain-walking (co)polymerization using phenyl substituted α-diimine nickel complexes activated with modified methylaluminoxane (MMAO). …”
Publicado 2020
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1570por Vieira, Leonardo“…The development of the fascial system and its adaptations have made it possible to increase Homo sapiens' survival and success. We present a historical contextualization of the evolutionary theory followed by the main changes in the movement fasciae, in the transverse diaphragms, visceral fasciae, dermis, subcutaneous tissue, and neural fasciae. …”
Publicado 2020
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1571“…The geometry optimization, vibrational spectra, and the HOMO and LUMO energies were calculated based on density functional theory with the use of the B3LYP functional and 6-311++G(d,p) basis set.…”
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1572por Jaffe, Eileen K.“…Homo-multimeric proteins that can come apart, change shape, and reassemble differently with functional consequences have been called morpheeins and/or transformers; these provide a largely unexplored context for understanding disease and developing allosteric therapeutics. …”
Publicado 2020
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1573por Michaleas, Spyros N., Laios, Konstantinos, Tsoucalas, Gregory, Androutsos, Georges“…Theophrastus Bombastus Von Hohenheim known as Paracelsus was a German-Swiss homo universalis, or Renaissance man, whose interests included medicine, chemistry and toxicology. …”
Publicado 2021
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1574“…Theoretical calculations reveal that the conductance increase is due to a significant decrease of the HOMO–LUMO gap and also the enhanced transmission close to the Fermi levels when the carbocation forms. …”
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1575por Brownsey, Duncan K., Rowley, Ben C., Gorobets, Evgueni, Gelfand, Benjamin S., Derksen, Darren J.“…Our findings show that secondary amines consistently afford greater yields than their primary counterparts, a trend that we were able to exploit in the synthesis of several new pomalidomide homo-dimers in enhanced yields compared to similar literature syntheses. …”
Publicado 2021
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1576por Krylov, Vadim B., Solovev, Arsenii S., Puchkin, Ilya A., Yashunsky, Dmitry V., Antonets, Anna V., Kutsevalova, Olga Y., Nifantiev, Nikolay E.“…Its use demonstrated that EBCA-1 recognizes the trisaccharide β-Man-(1→2)-α-Man-(1→2)-α-Man and not homo-α-(1→2)-linked pentamannoside, as was reported previously.…”
Publicado 2021
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1577por Iribarren, Iñigo, Sánchez‐Sanz, Goar, Elguero, José, Alkorta, Ibon, Trujillo, Cristina“…Therefore, the reactions involving the interaction between two coinage metal hydrides, MH (M=Cu, Ag and Au, homo and heterodimers), were studied. The free energy profiles corresponding to aforementioned complexation were analysed by means of ab initio methods of quantum chemistry. …”
Publicado 2021
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1578por Khan, Naveed Ahmed, Soopramanien, Morhanavallee, Maciver, Sutherland Kester, Anuar, Tengku Shahrul, Sagathevan, Kuppusamy, Siddiqui, Ruqaiyyah“…Crocodiles are remarkable animals that have the ability to endure extremely harsh conditions and can survive up to a 100 years while being exposed to noxious agents that are detrimental to Homo sapiens. Besides their immunity, we postulate that the microbial gut flora of crocodiles may produce substances with protective effects. …”
Publicado 2021
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1579por Aracena, Andrés, Rezende, Marcos Caroli, García, Macarena, Muñoz-Becerra, Karina, Wrighton-Araneda, Kerry, Valdebenito, Cristian, Celis, Freddy, Vásquez, Octavio“…Evaluation and comparison of their LUMO levels, HOMO-LUMO energy gaps as monomeric and π-stacked dimers with those of other materials, suggest their potential as organic n-type semiconductors. …”
Publicado 2021
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1580por Troisi, Alfonso“…Such a difference depends on psychological and behavioral adaptations shaped by natural selection throughout the evolutionary history of Homo sapiens. Selective pressures have favored the evolution of a behavioral immune system that is separate from, and complementary to, the physiological immune system. …”
Publicado 2020
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