Water effect on the bond dissociation energy of O–H and N–H bonds in phenol and aniline: The testing of simple molecular dynamics modelAiolosIkaroslymphoid progenitorsstem cellstranscription factorsare in good agreement with the experimental solution phase data....
Hydrogen Bonding in the Vapour Phase between Water and Hydrogen Fluoride: The Infrared Spectrum of the 1:1 Complex with the stretching vibration of HF, one with the bending of the water molecule, and the other with two bending vibrations of the hydrogen bond itself... RK Thomas - 《Proceedin...
breakage) is 1.4±0.1 cm3/mol H-bond, which corresponds to the volume difference between a large dispersion maximum at 2675 cm1(near the OD stretch ω of HDO in dense supercritical water) and a large, broad minimum centered near 2375 cm1(just below the OD stretch ω of HDO in lda ice)...
The effect of steel strand corrosion on the bond strength is similar to that of ribbed steel bar, and the corrosion products will fill the interface between strand and concrete, resulting in rust expansion effect19,20, changing the gripping effect of concrete on steel strand. The friction ...
With the aid of ab initio calculations, we conclude that the interconversion is driven by preferential stabilization of the H-bond network of type II arrangement through the formation of a nonconventional O-H center dot center dot center dot pi hydrogen bond between (H2O)(6)(-) and Bz. ...
The proton transfer and hydrogen bonding of the hydrogen atom are significant properties in chemistry. As a result, equilibrium between (enolimines/thiol and ketoenamines/thione forms) of 2HPhAZ and 2MPhAZ tautomeric forms is expected (Fig. 1). Figure 1 The tautomeric structure (enolimines/...
Theoretical studies of the interaction between enflurane and water Increase of the atmospheric concentration of halogenated organic compounds is partially responsible for a change of the global climate. In this work we hav... W Zierkiewicz,D Michalska… - 《Journal of Molecular Modeling》 被引量:...
Six crystal structures of carbohydrate compounds, liquid crystal properties of n-alkyl-1-O-D glucopyranosides and the correlation between hydrogen-bond len... Y Yeon - 《Journal of Xinjiang Petroledm Institute》 被引量: 0发表: 1999年
Transition metal-catalysed C–H functionalization and decarboxylative coupling are two of the most notable synthetic strategies developed in the past 30 years. Here, we connect these two reaction pathways using bases and a simple Pd-based catalyst system to promote a para-selective C–H functionaliza...
The fundamental problem of bamboo as a reinforcing bar in reinforced concrete structures is the weak bond between the bamboo and concrete. The assumption that the perfect bond exists in the design of bamboo-reinforced concrete becomes unrealistic due to the weak bamboo-concrete bond. Many researchers...