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Microstructure, texture and interface integrity in sheets processed by Asymmetric Accumulative Roll-Bonding
(Elsevier Science SA, 2020-01)
Accumulative Roll-Bonding (ARB) and Asymmetric Rolling (AR) techniques were combined to produce ultrafine-grained aluminum sheets with the mechanical characteristics of a Severe Plastic Deformation (SPD) process. Temperature ...
A bonding study of cyclopentene (c-C5H8) adsorption on Ni(1 1 1) surface
(Elsevier Science, 2008-07)
The adsorption of cyclopentene (c-C5H8) on Ni(1 1 1) was studied using DFT and semiempirical calculations. Preferred site and geometry calculations were carried out considering a Ni(1 1 1) surface and a unit cell of 64-atoms. ...
Bond-slip in reinforced concrete elements
(American Society of Civil Engineers, 2005-11)
A model for fiber reinforced composites that takes into account the fiber slipping is presented in this paper and applied to the analysis of reinforced concrete elements. The model is formulated within the framework of the ...
Halogen Bonds Stabilised by an Electronic Exchange Channel
(Wiley Blackwell Publishing, Inc, 2021-01)
The σ-hole is an important concept which has been widely used lately to describe the halogen bond (XB) essentially as electrostatic in nature. However, this idea is not free of controversy. For the sake of this work, ...
Hydrogen Bonds: Stickiness of the Hydrogen Bond (Ann. Phys. 9/2018)
(Wiley VCH Verlag, 2018-09)
The dielectric response of bulk water follows laws of continuum electrostatics,a scheme often extrapolated without justification to treat confined interfacialwater, where the Debye polarization ansatz breaks down and ...
Pricing of Defaultable Bonds with Log-Normal Spread: Development of the Model and an Application to Argentinean and Brazilian Bonds During the Argentine Crisis
(Springer, 2005-06)
In this paper we describe a two-factor model for a defaultable discount bond, assuming log-normal dynamics with bounded volatility for the instantaneous short rate spread. Under some simplified hypothesis, we obtain an ...
Understanding the nature of bonding interactions in the carbonic acid dimers
(Springer, 2019-01)
Carbonic acid dimer, (CA)2, (H2CO3)2, helps to explain the existence of this acid as a stable species, different to a simple sum between carbon dioxide and water. Five distinct, well characterized types of intermolecular ...
Site-bond percolation of heteronuclear dimers irreversibly deposited on square lattices
(American Physical Society, 2017-12)
A generalization of the site-bond percolation problem was studied, in which pairs of neighboring sites (site dimers) and bonds are occupied irreversibly, randomly, and independently on homogeneous square surfaces. A dimer ...
The crucial role of H-bonding in the mechanisms of reactions with diamines in aprotic solvents
(Research Trends, 2011-07)
In the widely reported mechanistic studies of Aromatic Nucleophilic Substitutions (ANS) most of the discussions are centered in the nature of the halo-nitro-aromatic substrates, the basicity of the nucleophile and the ...
NMR 1 H-Shielding Constants of Hydrogen-Bond Donor Reflect Manifestation of the Pauli Principle
(American Chemical Society, 2018-06)
NMRspectroscopy is one of the most useful methods for detection andcharacterization of hydrogen bond (H-bond) interactions in biological systems.For H-bonds X-H⋯Y, where X and Y are O or N, it is generally believed that ...