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 …

1.1 What Is AIM?±The theory of``Atoms in Molecules''(AIM) is an interpretative theory which
aims to recover chemical insight from modern highresolution electron densities. 1 These …

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 …

The Quantum Theory of Atoms in Molecules, due to Bader, is applied to periodic systems.
Results for molecular and crystalline urea are presented. Changes in both bond critical …

This book deals with the electron density distribution in molecules and solids as obtained
experimentally by X-ray diffraction. It is a comprehensive treatment of the methods involved …

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 …

Non‐covalent interactions (NCI) define the rules underlying crystallisation, self‐assembly
and drug–receptor docking processes. A novel NCI descriptor, based on the reduced …

In X-ray constrained wavefunction (XCW) fitting, external information, such as electron
correlation and polarization, is included into a single-determinantal isolated-molecule …

Topological analysis of experimental and theoretical (molecular and crystal) electron
densities of p-nitroaniline and p-amino-p′-nitrobiphenyl reveals considerable …

The strength of a bond, defined as p= s/r, where s is the Pauling bond strength and r is the
row number of an M cation bonded to an oxide anion, is related to a build-up of electron …