Natural bond orbital (NBO) analysis is one of many available options for 'translating'
computational solutions of Schrödinger's wave equation into the familiar language of …

This contribution explains how the topological methods of analysis of the electron density
and related functions such as the electron localization function (ELF) and the electron …

We present critic 2, a program for the analysis of quantum-mechanical atomic and molecular
interactions in periodic solids. This code, a greatly improved version of the previous critic …

Hydrogen bonds are of crucial relevance to many problems in chemistry, biology, and
materials science. The recently developed NCI (noncovalent interactions) index enables …

Currently, bonding analysis of molecules based on the Quantum Theory of Atoms in
Molecules (QTAIM) is popular; however,“misinterpretations” of the QTAIM analysis are also …

Ab initio quantum chemistry is an independent source of information supplying an ever
widening group of experimental chemists. However, bridging the gap between these ab …

In this paper we introduce critic, a new program for the topological analysis of the electron
densities of crystalline solids. Two different versions of the code are provided, one adapted …

Many population analysis methods are based on the precept that molecules should be built
from fragments (typically atoms) that maximally resemble the isolated fragment. The …

The concept of multicenter bond is paradoxically counter intuitive in chemistry because most
of chemistry and molecular physics is thought in terms of two body interactions. Moreover …

Systematically covering all the latest developments in the field, this is a comprehensive and
handy introduction to metal-metal bonding. The chapters follow a uniform, coherent structure …