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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 ...
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 ...
On the hydrogen bonding between N-methylformamide and acetone and tetrahydrofuran
(Elsevier B.V., 2014-04-15)
Liquid mixtures of N-methylformamide (NMF)-acetone (ACT) and NMF-tetrahydrofuran (THF) 20 mol% NMF have been investigated using Monte Carlo simulations, aiming to obtain new details on the hydrogen bonding donation 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, ...
Influence of the Application and Light-Curing of Bonding Adhesives Inside Lithium Disilicate Ceramic Crowns
(2020-05-28)
This in vitro study evaluated the effect of the application and previous photoactivation of bonding adhesives in lithium disilicate ceramics. This was achieved by analyzing the bond strength of the cement-ceramic interface, ...
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 ...
Dentin Bond Optimization Using The Dimethyl Sulfoxide-wet Bonding Strategy: A 2-year In Vitro Study
(Elsevier Sci LTDOxford, 2016)
Pairing and unpairing electron densities in organic systems: Two-electron three center through space and through bonds interactions
(American Institute of Physics, 2014-05)
Two-electron three-center bonding interactions in organic ions like methonium (CH
+
5
), ethonium (C2H
+
7
), and protonated alkanes n−C4H
+
11
isomers (butonium cations) are described and characterized within ...
Effects of hyperconjugative interactions on (1)J(CH) coupling constant for hexamethylenetetramine and adamantane: Theoretical and experimental study
(Soc Brasileira QuimicaSao PauloBrasil, 2007)