Browsing by Title Artículos de revistas
Now showing items 3203-3222 of 4968
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(2007)Some zigzag and all armchair single-walled carbon nanotubes are believed to behave as metals. However, recent experimental results suggest that only armchair single-walled carbon nanotubes show typically metallic behavior. ...
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(2014)In this paper, we answer the question about the existence of the minimal speed of front propagation in a delayed version of the Murray model of the Belousov-Zhabotinsky (BZ) chemical reaction. It is assumed that the key ...
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(2002)We study conditions under which the identity ((xx)x)x = 0 in a commutative nonassociative algebra A implies Rx is nil-potent where Rx is the multiplication operator Rx(y) = xy for all y in A. The separate conditions that ...
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(American Chemical Society, 2009)Boron compounds are widely used in synthetic chemistry. The synthesis of the compounds is relatively easy, presenting thermodynamic stability and synthetic versatility. Almost all of them show electrophilic reactivity. ...
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(Springer Verlag, 2016)© Springer-Verlag Berlin Heidelberg 2016. The performance of ruthenium dye sensitized solar cells (DSSC) with different types of ligand was studied by means of a theoretical model where the ruthenium complex is bound to ...
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(IOP Publishing, 2016)The motion of spinning massless particles in gravitationally curved backgrounds is revisited by considering new types of constraints. Those constraints guarantee zero mass (P mu P mu = 0) and they allow for the possibility ...
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(Springer Verlag, 2018)© 2016, Senckenberg Gesellschaft für Naturforschung and Springer-Verlag Berlin Heidelberg. The two-lined sea pen Distichoptilum gracile Verrill, 1882, the type and only species that is considered valid in the genus ...
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(2009)In analogy with Sanderson's electronegativity equalization principle, it is possible to postulate a principle of spin potential equalization in the E[Nα, Nβ] representation of the spin polarized density functional theory, ...
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(Elsevier, 2013)The consumption of hallucinogenic substances is a long-standing tradition in the Americas. San Pedro de Atacama (SPA) in Northern Chile is the archaeological zone with the highest incidence of snuffing implements in the ...
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(2009)The electronic properties of a chemical model that mimics the His-57 ••• Asp-102 catalytic residues of α-chymotrypsine during the transition from normal hydrogen bond to short and strong hydrogen-bond regimes are presented. ...
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(1990)Ab initio torsional potential functions for a series of representative sulphur-containing molecules are presented. A few interesting parameters determining the relevant characteristics of the intermediate conformations ...
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(1986)Further developments in the local reaction field (LRF) model of solvent effects are presented. The improved formalism, including dielectric saturation effects, permits a better description of the solvent polarization vector. ...
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(Wiley, 1985)The introduction of local dielectric effects within the SCF theory of continuum solvent effects representation is examined at a semiempirical level. The formalism is developed in the frame of the reaction field theory ...
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(IOS Press, 2004)© 2004 IOS Press and the authors. The static dipole polarizabilities of three series of clusters have been calculated and compared. They are the bare lithium clusters, the copper clusters and the mixed lithium-copper ...
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(2002)The static electric dipole polarizability of small Si clusters was investigated. The methods used were based on different techniques to calculate the polarizability. Thus, some methods used the higher-order finite-difference ...
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(GAUTHIER-VILLARS/EDITIONS ELSEVIER, 2006)We study the dynamics of skew product endomorphisms acting on the cylinder R/Z x R, of the form (theta, t) -> (l theta, gimel t + tau(theta)), where l >= 2 is an integer, gimel is an element of (0, 1) and tau : R/Z -> ...
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(SOCIEDAD CHILENA DE QUIMICA, 2006-06)A Density Functional microscopic model of C-60, consisting of seven molecular orbitals (3 occupied and 4 empty), was employed to get the best values for the half-width and the scanning distance of the mathematical function ...
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On the variations of electronic chemical potential and chemical hardness induced by solvent effects (ELSEVIER, 2006-12-29)The effects that a polarizable medium exerts on the electronic chemical potential and the chemical hardness of neutral and charged molecules are discussed in detail, using the continuum approach based on the polarizable ...
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(MDPI, 2022)A wide variety of materials, strategies, and methods have been proposed to face the challenge of wastewater pollution. The most innovative and promising approaches include the hybrid materials made of polymeric nanofibers ...