Abstract On June 1, 1965, RB Woodward and Roald Hoffmann published their third
communication in the Journal of the American Chemical Society in which they applied …

Terms such as valence, oxidation number, coordination number, formal charge, and number
of bonds are widely used throughout chemistry. Although each of these terms has a distinct …

Phase change materials (PCMs), which bear a strong relationship with pnictogens (group V
or 15) and chalcogens (group VI or 16), are mostly chalcogens related to AIVBVI and …

Some inorganic solids undergo phase transitions that result in the formation of “molecules”
in their crystalline frameworks, which are frequently accompanied by dramatic changes in …

Various recently introduced multicenter bond indices were reviewed and their interrelations
discussed. In addition to this analysis a simple three-center three-orbital model of three …

Two-center and three-center bond indices have been calculated using sp and spd basis sets
for some hypervalent compounds (H− 3, FHF−, ClHCl−, F− 3, Cl− 3, ClF 3, SF 4, XeF 2 and …

The discovery of effective hydrogen storage materials is fundamental for the progress of a
clean energy economy. Ammonia borane (H3BNH3, AB) has attracted great interest as a …

The low electronegativity of Si gives rise to a variety of nonconventional intermolecular
interactions in clusters of silanes and their derivatives, which have not been well …

Investigations into the mechanism of the low-temperature C (sp2)–C (sp3) Kumada cross-
coupling catalyzed by highly reduced nickel-olefin-lithium complexes revealed that 16 …

Atoms in molecules (AIM), natural bond orbital (NBO), and normal coordinate analysis have
been carried out at the global minimum structures of TH5+ (T= C/Si/Ge). All these analyses …