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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 ...
Evaluation of Effectiveness of Self-Adhesive Composites for Amalgam Repair with or Without Alloy Primer, in Terms of Shear Bond Strength
(Facultad de Odontología. Universidad de Costa Rica, 2020)
Bonding in PdH2 and Pd2H2 systems adsorbed on carbon nanotubes: Implications for hydrogen storage
(Elsevier, 2014-01)
This work presents a bonding study of hydrogen adsorption processes on palladium decorated carbon nanotubes by using the density functional theory (DFT). First, we considered simple decoration models involving single ...
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 ...
Effect of beryllium bonds on the keto–enol tautomerism of formamide derivatives: a subtle basicity–acidity balance
(Springer, 2016-06)
The effects of the association of BeH2 to formamide derivatives have been investigated through the use of G4 high-level ab initio calculations. The association takes place preferentially at the carbonyl group of the amide ...