The exploration of the utilization of sustainable, green energy represents one way in which it
is possible to ameliorate the growing threat of the global environmental issues and the crisis …

Water contains tremendous energy in a variety of forms, but very little of this energy has yet
been harnessed. Nanostructured materials can generate electricity on interaction with water …

Sorption-based atmospheric water harvesting (SAWH), which uses sorbents to capture
water vapor from the air and low-grade energy to produce fresh liquid water, has been …

The hydrogen bond is the most important of all directional intermolecular interactions. It is
operative in determining molecular conformation, molecular aggregation, and the function of …

For molecules containing second row atoms, unacceptable errors have been found in
extrapolating dissociation energies calculated with the standard correlation consistent basis …

A common phenomenon resulting from the interaction of atoms is the formation of
molecules, under certain conditions. This well-known type of interaction is termed covalent …

A new implementation of the approximate coupled cluster singles and doubles method CC2
is reported, which is suitable for large scale integral-direct calculations. It employs the …

The evaluation of RI-MP2 first derivatives with respect to nuclear coordinates or with respect
to an external electric field is described. The prefix RI indicates the use of an approximate …

This review intends to deepen our understanding of mechanisms by which molecules with
aromatic moieties attach to organic and mineral components of terrestrial environments. We …

For meaningful theoretical studies of biomolecular systems, it is necessary to have potential
energy functions providing a realistic and accurate representation of both the microscopic …