Buscar
Mostrando ítems 11-20 de 4162
Ligações hidrogênio fortes em ácidos dicarboxílicos e diaminas aromáticasStrong hydrogen bonds in dicarboxylics acids and aromatics diamines
(Sociedade Brasileira de Química, 2000)
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 ...
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 ...
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 ...
Assessing the effects of hydrogen peroxide bleaching agent on the shear bond strength of orthodontic brackets
(2016-07-01)
Background: Tooth bleaching is, today, one of the most widespread cosmetic treatments in dental practice, so it is important to determine whether it can interfere with orthodontic bonding or not. Aim: The aim of this study ...
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 ...
Theoretical studies on hydrogen bonding interactions: From small clusters to the liquid phase
(2011)
This article discusses some methodological aspects and applications of hydrogen bonding interactions in molecular aggregates, as well as in liquids, that have currently been considered in the literature. First, the concept ...
Investigation on the structure of liquid N-methylformamide-dimethylsulfoxide mixtures
(Elsevier B.V., 2011-03-18)
The structures of liquid mixtures of N-methylformamide (NMF) and dimethyl sulfoxide (DMSO) at two concentrations (80% and 50% NMF) are investigated using a combination of neutron diffraction augmented with isotopic ...
Investigation on the structure of liquid N-methylformamide-dimethylsulfoxide mixtures
(Elsevier B.V., 2011-03-18)
The structures of liquid mixtures of N-methylformamide (NMF) and dimethyl sulfoxide (DMSO) at two concentrations (80% and 50% NMF) are investigated using a combination of neutron diffraction augmented with isotopic ...