The electron density delocalization of hydrogen bond systems
Z Zhang, D Li, W Jiang, Z Wang - Advances in Physics: X, 2018 - Taylor & Francis
Recent experimental and theoretical researches have gradually proved that hydrogen bond
(H-bond) interactions are not simple traditionally considered electrostatic interaction …
(H-bond) interactions are not simple traditionally considered electrostatic interaction …
Aqueous charge injection: solvation bonding dynamics, molecular nonbond interactions, and extraordinary solute capabilities
CQ Sun - International Reviews in Physical Chemistry, 2018 - Taylor & Francis
Aqueous charge injection in forms of electrons, protons, lone pairs, ions, and molecular
dipoles by solvation is ubiquitously important to our health and life. Pursuing fine-resolution …
dipoles by solvation is ubiquitously important to our health and life. Pursuing fine-resolution …
(H, Li) Br and LiOH solvation bonding dynamics: molecular nonbond interactions and solute extraordinary capabilities
We resolved the O: H–O bond transition from the mode of ordinary water to its hydration in
terms of its phonon stiffness (vibration frequency shift Δω), order of fluctuation (line width) …
terms of its phonon stiffness (vibration frequency shift Δω), order of fluctuation (line width) …
Sequential flip**: the donor–acceptor exchange mechanism in water trimers
X Yang, R Liu, R Xu, Z Wang - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
The donor–acceptor exchange (DAE) is a significant hydrogen bond network rearrangement
(HBNR) mechanism because it can lead to the change of the hydrogen bond direction. In …
(HBNR) mechanism because it can lead to the change of the hydrogen bond direction. In …
Energetics competition in centrally four-coordinated water clusters and Raman spectroscopic signature for hydrogen bonding
Extending the electronic structure of four-coordinated hydrogen bonds (H-bonds) to medium
sized water cages (H2O) n (n= 17, 19, 20, 21, 23 and 25), we separate the H-bonded …
sized water cages (H2O) n (n= 17, 19, 20, 21, 23 and 25), we separate the H-bonded …
Chiral nanoporous networks featuring various chiral vertices from an achiral molecule on Ag (100)
Chiral nanoporous nanoarchitectures exhibit potential applications in various fields
including chiral separation, sensing and catalysis. Two-dimensional (2D) supramolecular …
including chiral separation, sensing and catalysis. Two-dimensional (2D) supramolecular …
Temperature-induced change of water structure in aqueous solutions of some kosmotropic and chaotropic salts
F Kovács, H Yan, H Li, S Kunsági-Máté - International Journal of …, 2021 - mdpi.com
The hydrogen bond structure of water was examined by comparing the temperature
dependent OH-stretching bands of water and aqueous NaClO4, KClO4, Na2SO4, and …
dependent OH-stretching bands of water and aqueous NaClO4, KClO4, Na2SO4, and …
Ring‐Stacking Water Clusters: Morphology and Stabilities
L Yang, H Ji, X Liu, WC Lu - ChemistryOpen, 2019 - Wiley Online Library
The structures and interaction energies of water clusters with ring stacking motifs are studied
by using ab initio calculations. The structures of the water clusters are constructed by …
by using ab initio calculations. The structures of the water clusters are constructed by …
Modeling Water Clusters: Spectral Analyses, Gaussian Distribution, and Linear Function during Time
Our experimental and theoretical studies have consistently revealed the presence of water
clusters in various environments, particularly under hydrophobic conditions, where slower …
clusters in various environments, particularly under hydrophobic conditions, where slower …
Supersolidity of undercoordinated and hydrating water
CQ Sun - Physical Chemistry Chemical Physics, 2018 - pubs.rsc.org
Supersolidity of ice, which was proposed in 2013 and intensively verified since then [CQ
Sun et al., Density, Elasticity, and Stability Anomalies of Water Molecules with Fewer than …
Sun et al., Density, Elasticity, and Stability Anomalies of Water Molecules with Fewer than …