Spin-Coupled Generalized Valence Bond (SCGVB) theory provides the foundation for a
comprehensive theory of the electronic structure of molecules. SCGVB theory offers a …

The present study focuses on the Be 2+⁠, Be 2, Be 2−⁠, and Be 3 species with the aim to
unveil their bonding pattern. The ground states of the above molecules are examined mainly …

In this article we describe the unique insights into the electronic structure of molecules
provided by generalized valence bond (GVB) theory. We consider selected prototypical …

The concept of hybrid orbitals is one of the key theoretical concepts used by chemists to
explain the structures and other properties of molecules. Recent work found that the hybrid …

There are many well-known differences in the physical and chemical properties of ozone
(O3) and sulfur dioxide (SO2). O3 has longer and weaker bonds than O2, whereas SO2 has …

For most molecules the spin-coupled generalized valence bond (SCGVB) wavefunction
accounts for the effects of non-dynamical electron correlation. The remaining errors in the …

Although elements in the same group in the Periodic Table tend to behave similarly, the
differences in the simplest Group 14 hydrides—XH n (X= C, Si, Ge; n= 1–4)—are as …

The ground state, X1Σ g+, of N2 is a textbook example of a molecule with a triple bond
consisting of one σ and two π bonds. This assignment, which is usually rationalized using …

Bonding in chemistry refers to the stability of molecules, therefore it is of paramount
importance to natural sciences and certainly to all aspects of life. Yet bonding is a …

It has long been known that there is a fundamental difference in the electronic structures of
CH5–and SiH5–, two isoelectronic molecules. The former is a saddle point for the SN2 …