Liquid water consists of a mixture of short, straight and strong hydrogen bonds and long, weak and bent hydrogen bonds with many intermediates between these extremes. Short hydrogen bonds in water are strongly correlated with them being straighter. Shorter hydrogen bonds are stronger. The stronger ...
Equilibrium and dynamical properties of the hydrogen bonds in liquid water are analysed using the results of molecular dynamics simulations of the MCY-CI model. Properties of the hydrogen bond clusters as functions of temperature are described. The connectivity of the clusters is analysed in terms of...
Hydrogen Bonds in Water: Network Organization and Lifetimes. Mol. Phys. 1983, 50, 1151-1162.Rapaport, D. C. (1983). "Hydrogen bonds in water: network organization and lifetimes", Molecular Physics, 50, 115 1.D.C. Rapaport, Hydrogen-bonds in water network organization and lifetimes, Mol....
Nanopores can serve as a molecule channel for transport of fluid, where water diffusion differs remarkably from that of simple particles. Hydrogen bonds play an essential role in the diffusion anomaly. Detailed investigations are carried out on the systems of rigid (6, 6), (7, 7), (8, 8)...
forcesandhydrogen bonds. In fact, heteroaggregation via hydrogen bonding has been employed for separation/purification of NPs using functionalized or decoratedmagnetic NPs[149,150]. Inaqueous media, formation of hydrogen bonds between water molecules and oxygen-containing groups on the surface of NPs ...
In this work, we reveal a quantitative relationship between the calculated components of the 1H magnetic shielding tensor and the degree of covalency of HBs in liquid water19,20. The covalent component of intermolecular bonds is commonly defined as the strength of donor–acceptor orbital interactions...
We propose a simple analytical model to account for water's hydrogen bonds in the hydrophobic effect. It is based on computing a mean-field partition function for a water molecule in the first solvation shell around a solute molecule. The model treats the orientational restrictions from hydrogen ...
Aqueous Systems at Elevated Temperatures and Pressures Physical Chemistry in Water Steam and Hydrothermal Solutions 热度: –1– TheHydrogenBond:Formation, ThermodynamicProperties,Classification CHEMICALBONDS Electricalforcesthatactonpositivelychargednucleiofvariousatomsandnegatively ...
The intensity of the BR→L difference band is reduced in the Thr46→Val mutant but restored by the additional mutation of Asp96→Asn. These intensity changes are closely correlated with the H-bonding change of water molecules, suggesting that the peptide CO of Val49 is hydrated. This could ...
et al. Structure and dynamics of water dangling OH bonds in hydrophobic hydration shells. Comparison of simulation and experiment. J. Phys. Chem. A 115, 6177–6183 (2011). Hsieh, C. S. et al. Ultrafast reorientation of dangling OH groups at the air-water interface using femtosecond ...