Noncovalent interactions are of utmost importance. However, their accurate treatment is still
difficult. This is partially induced by the coexistence of many types of interactions and …

Much interest has been evinced on the properties of weakly bound van der Waals
complexes of π-systems because of their utility in diverse fields (Figure 1). 1-14 Theoretical …

Interatomic interactions such as hydrogen bonds (HB) can be adequately described and
classified by the topological properties of the electron density ρ (r) at the (3,− 1) critical points …

This book distills the knowledge gained from research into atoms in molecules over the last
10 years into a unique, handy reference. Throughout, the authors address a wide audience …

Abstract Analysis of the chemical bonding in the position space, instead of or besides that in
the wave function (Hilbert) orbital space, has become increasingly popular for crystalline …

In the last few years, the quantum theory of atoms in molecules has become the paradigm
for interpreting theoretical and experimental electron density distributions. Within this …

Among many various kinds of molecular interactions, the H-bond has a special position. The
term is ubiquitous in the world that surrounds us, but also it is often applied in different ways …

The hydrogen bond interaction energy (E HB) of HF⋯ HR (R= H, Li, Al, Cl, CCH) complexes
under external electric fields is investigated in terms of the bonding distance and of several …

As X-ray scattering by electrons is much stronger than that of the nuclei, intensities of
scattered X-rays are almost exclusively determined by the distribution of the electrons. Thus …

In this work, interaction and bond properties of anticancer drug doxorubicin (DOX), armchair
single-walled carbon nanotube (SWCNT), and hydroxyl-and carboxyl-functionalized …