Two are better than one: Quantum mechanics/molecular mechanics (QM/MM) methods are
the state‐of‐the‐art computational technique for treating reactive and other “electronic” …

Many hydrogen-bonded liquids, molecular solids, and lowdimensional systems support
anomalous diffusion mechanisms of topological charge defects created by the addition or …

Ion-solvating membranes have been gaining increasing attention as core components of
electrochemical energy conversion and storage devices. However, the development of ion …

Abstract In 1804, Theodore von Grotthuss proposed a mechanism for proton (H+) transport
between water molecules that involves the exchange of a covalent bond between H and O …

Voltage-gated proton channels (HV) are unique, in part because the ion they conduct is
unique. HV channels are perfectly selective for protons and have a very small unitary …

The excess proton in aqueous media plays a pivotal role in many fundamental chemical (eg,
acid− base chemistry) and biological (eg, bioenergetics and enzyme catalysis) processes …

Abstract The Feller–Peterson–Dixon approach to the reliable prediction of thermochemical
properties to chemical accuracy is described. The method calculates the total atomization …

Optically switchable proton-conductive materials will enable the development of artificial
ionic circuits. However, most switchable platforms rely on conformational changes in crystals …

Hypothesis Silanol groups at the silica–water interface determine not only the surface
charge, but also have an important role in the binding of ions and biomolecules. As the pH is …

Abstract Design and fabrication of hierarchically structured membranes with high proton
conductivity is crucial to many energy‐relevant applications including proton exchange …