Goldschmidt–Pauling contraction of the H–O polar-covalent bond elongates and polarizes
the other noncovalent part of the hydrogen bond (O: H–O), that is, the O: H van der Waals …

The effect of extending the O− H bond length (s) in water on the hydrogen‐bonding strength
has been investigated using static ab initio molecular orbital calculations. The “polar …

Atomic energies are used to describe local stability in eight low-lying water hexamers: prism,
cage, boat 1, boat 2, bag, chair, book 1, and book 2. The energies are evaluated using the …

The specific-heat difference between the O: H van der Waals bond and the H–O polar-
covalent bond and the Coulomb repulsion between electron pairs on adjacent oxygen …

We use extensive molecular dynamics simulations employing different state-of-the-art force
fields to find a common framework for comparing structural orders and density anomalies as …

The structure of water is the subject of a long and ongoing controversy. Unlike simpler
liquids, where atomic interactions are dominated by strong repulsive forces at short …

The properties of liquid water are intimately related to the H-bond network among the
individual water molecules. Utilizing vibrational spectroscopy and modeling water with DFT …

We introduce a statistical mechanical model for the physical properties of water. Each water
molecule is a two-dimensional disk with three radial hydrogen-bonding arms. Energetic …

Latimer and Rodebush first described hydrogen bonding in 1920. It occurs when an atom of
hydrogen is attracted by strong forces to two atoms instead of only one, as its single valence …

As the archetype of aqueous hydrogen bonding, the water dimer has been extensively
studied by both theory and experiment for nearly seven decades. In this article, we present a …