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Targeting Protein Pockets with Halogen Bonds
(Women in Bioinformatics & Data Science, 2021)
Halogen bonds (X-bonds) are directional interactions involving an attractive force between an electrophilic region on the halogen and interaction partners with nucleophilic properties, X-bond has gained recognition as an ...
Influence of clinical experience on accuracy of virtual orthodontic attachment bonding in comparison with the direct procedure
(Universidade Federal de Minas GeraisBrasilFAO - DEPARTAMENTO DE ODONTOLOGIA RESTAURADORAFAO - DEPARTAMENTO DE ODONTOPEDIATRIA E ORTODONTIAUFMG, 2019-03-28)
Digital technology in the refining of protocols for the bonding of orthodontic brackets
(Universidade Federal de Minas GeraisBrasilFAO - DEPARTAMENTO DE ODONTOLOGIA RESTAURADORAFAO - DEPARTAMENTO DE ODONTOPEDIATRIA E ORTODONTIAUFMG, 2018-08-28)
Physical meaning of the QTAIM topological parameters in hydrogen bonding
(Springer, 2014-10)
This work examined the local topological parameters of charge density at the hydrogen bond (H-bond) critical points of a set of substituted formamide cyclic dimers and enolic tautomers. The analysis was performed not only ...
Using sandersons principle to estimate global electronic properties and bond energies of hydrogen bonded complexes
(AMERICAN CHEMICAL SOCIETY, 2000)
The Determinants of Bond Market Development: Further Evidence from Emerging and Developed Countries
(Elsevier Science, 2017-06)
The objective of this paper is to empirically investigate the structural, financial, developmental, institutional, and macroeconomic determinants of bond market development for a sample of 22 emerging and developing countries ...
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, ...