Browsing by Title Facultad de Ciencias
Now showing items 6303-6322 of 8172
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(Elsevier, 2003)The global electrophilicity power, ω, of a series of dipoles and dipolarophiles commonly used in 1,3-dipolar cycloadditions may be conveniently classified within a unique relative scale. The effects of chemical substitution ...
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(2002)The global electrophilicity power, ω, of a series of dienes and dienophiles commonly used in Diels-Alder reactions may be conveniently classified within a unique relative scale. Useful information about the polarity of ...
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(Elsevier, 2015)We present a unified model of electrophilicity and nucleophilicity that considers the electrophile/nucleophile pair in an interacting regime, thereby avoiding the arbitrariness of defining them as the opposite ends of a ...
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(2002)Regional electrophilicity at the active sites of the reagents involved in polar Diels-Alder processes may be described on a quantitative basis using an extension of the global electrophilicity index recently introduced by ...
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(2008)Data on wealth distributions in trading markets show a power law behavior x- (1+α) at the high end, where, in general, α is greater than 1 (Pareto's law). Models based on kinetic theory, where a set of interacting agents ...
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(ALÖKI Kft., 2018)Most of the world's catches of sharks are incidentally taken by tuna fishing gear, constituting bycatches that increase the extinction risk of several species of shark. This not only alters ecosystem functions by removing ...
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(Peking University Press, 2018)Quantitative correlation of several theoretical electrophilicity measures over different families of organic compounds are examined relative to the experimental values of Mayr et al. Notably, the ability to predict these ...
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(AMER PHYSICAL SOCIETY, 2010-01-27)We perform density-functional-theory calculations of electronic core levels to obtain the tellurium x-ray photoelectron spectra in the amorphous solar-energy materials CdTeOx x=0.2, 1, 2, and 3 . We quantify the distribution ...
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(2002)We present quantitative information on the natural history of a host-parasite interaction that consists on the holoparasitic mistletoe Tristerix aphyllus (Loranthaceae) and its cacti host species. More specifically, we ...
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(Birkhauser, 2020)
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(1995)It is pointed out that the action recently proposed by Bañados, Teitelboim, and Zanelli for the study of black holes in odd dimensions higher (and lower) than four provides a natural quantization for the gravitational ...
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(American Pharmaceutical Association, 1983-09-13)We have analyzed the dependence of the serotonin receptor binding affinity on the atomic net charges, superdelocalizabilities, mass, and moment of inertia in a group of indole derivatives. The approaches employed are a ...
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(2003)Voltage- and incremental charge capacity-composition curves for the electrochemical formation of intercalates LixMoS2 were analyzed at the molecular level by developing a quantum chemical model focused on the variation of ...
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(ELSEVIER SCIENCE BV, 1988)A Quantitative Structure-Activity Relationship study for a group of opiates interacting with the mu receptor was carried out. The study consisted in searching a relationship between the drug-receptor equilibrium constant ...
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(Sociedad Chilena de Quimica, 2013)This paper uses newly developed and extended quantum chemical methods in an attempt to advance the knowledge of the relationship between the variation of several local atomic descriptors of the electronic structure and the ...
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(Taylor & Francis, 2020)The understanding of closed-shell interactions has become of tremendous relevance in the ever-growing field of supramolecular chemistry. Here, we present a theoretical study in which we characterised the intermolecular ...
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(American Physical Society, 2017)The localization of light in flat-band lattices has been recently proposed and experimentally demonstrated in several configurations, assuming a classical description of light. Here we study the problem of light localization ...
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(Elsevier, 2020)This review deals with the problem of designing safer solvents for chemical transformation and chemical processes. These materials generically defined as neoteric solvents include the well known ionic liquids (ILs) and ...
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(American Physical Society, 2020)The existence of nonvanishing Bohm potentials, in the Madelung-Bohm version of the Schrodinger equation, allows for the construction of particular solutions for states of quantum particles interacting with nontrivial ...