It is not a coincidence that both chirality and noncovalent interactions are ubiquitous in
nature and synthetic molecular systems. Noncovalent interactivity between chiral molecules …

We sketch the basic principles of natural bond orbital (NBO) theory, including critical
discussion of its relationship to alternative bonding concepts and selected illustrations of its …

MP2/aug-cc-pVTZ calculations were carried out on complexes of ZH4, ZFH3 and ZF4 (Z= C,
Si and Ge) molecules with HCN, LiCN and Cl− species acting as Lewis bases through …

This account takes to task papers that criticize the definition of a bond path as a criterion for
the bonding between the atoms it links by mistakenly identifying it with a chemical bond. It is …

Steric effects in chemistry are a consequence of the space required to accommodate the
atoms and groups within a molecule, and are often thought to be dominated by repulsive …

In this article, the NCI method [Johnson et al., J. Am. Chem. Soc., 2010, 132, 6498] for
plotting and analysing non-covalent interactions (NCI) is extended to periodic (solid-state) …

Since quantum mechanical calculations do not typically lend themselves to chemical
interpretation, analyses of bonding interactions depend largely upon models (the octet rule …

The definition of the van der Waals crust as the spherical section between the atomic radius
and the van der Waals radius of an element is discussed and a survey of the application of …

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 …

A concise summary is provided on the basic aspects of charge density (CD) analysis and an
overview of the charge density research and developments over the last 10 years. A glimpse …