Cycloaddition reactions represent a cornerstone of synthetic organic chemistry, facilitating the formation of cyclic structures through concerted pericyclic processes. Traditionally explained via ...

The properties of equivalent orbitals, as defined in previous parts, are examined in more detail. It is shown that the character of an equivalent set can be deduced knowing the symmetry group of a ...

P-P Overlap (Pi Bond Formation): Pi bonds are formed through the sideways overlap of p orbitals. In cumulenes, each central carbon atom has two p orbitals oriented perpendicularly. Each p orbital ...

Single-atom catalysts (SACs), with their excellent metal atom utilization and unique physicochemical properties, hold promise for broad applications, especially in heterogeneous catalysis and energy ...

The disagreements between calculations of the benzene energy states by the method of antisymmetric molecular orbitals (A.S.M.O.) and by the augmented valence-bond theory given in previous papers ...

Orbital-free density functional theory (OFDFT) represents a promising reformulation of quantum mechanics for materials and molecular simulations. By expressing the kinetic energy solely as a ...