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Mostrando ítems 11-20 de 9830
Interplay between dihydrogen and alkali–halogen bonds: Is there some covalency upon complexation of ternary systems?
(Brasil, 2012)
In this study, a theoretical investigation of traditional dihydrogen bonds and novel alkali–halogen bonds was performed in relation to the formation of NaH⋯HCF3 and NaH⋯HCCl3 binary and NaH⋯2(HCF3) and NaH⋯2(HCCl3) ternary ...
Bond strengths, degree of conversion of the cement and molecular structure of the adhesive-dentine joint in fibre post restorations
(Elsevier B.V., 2012-04-01)
Objectives: Because fibre post restorations are influenced by multiple factors such as the types of bonding materials, the dentine region and the time under moist exposure, this study sought to determine the bond strength ...
Structure and weak hydrogen bonds in liquid acetaldehyde
(2004-08-30)
Monte Carlo simulations have been performed to investigate the structure and hydrogen bonds formation in liquid acetaldehyde. An all atom model for the acetaldehyde have been optimized in the present work. Theoretical ...
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 ...
Shear bond strength of aesthetic materials bonded to Ni-Cr alloy
(Elsevier B.V., 2014)
Electronic structure and effectively unpaired electron density topology in closo -Boranes: Nonclassical three-center two-electron bonding
(American Chemical Society, 2011-07)
This article provides a detailed study of the structure and bonding in closo-borane cluster compounds X2B3H3 (X = BH-, P, SiH, CH, N), with particular emphasis on the description of the electron distribution using the ...
Electronic structure and bonding of the ground state of alkaline-earth-metal monoxides and carbides
(American Chemical Society, 2000)
The electronic structure of the ground state of monoxides MO and carbides MC2 with M an alkaline-earthmetal atom (Be to Ba) has been investigated. Bond energies, vibrational frequencies, dipole moments and equilibrium bond ...
Electronic structure of polyacetylene with bonded oxygen
(1992-09-01)
In this work we have studied the electronic structure of finite polyacetylene chains with structural oxygen-bonding models following data from 13C-NMR experiments. We have used a combination of Austin Method One and ...