Chemical Reactivity in Quantum Mechanics and Information Theory introduces a thermodynamic-like description of molecular systems and provides an objective treat

Over recent decades, the increase in computational resources, coupled with the popularity of competitive quantum mechanics alternatives (particularly DFT), has

The progress in computer technology during the last 10-15 years has enabled the performance of ever more precise quantum mechanical calculations related to stru

The growth of technology for chemical assessment has led to great developments in the investigation of chemical reactivity in recent years, but key information

Discover theoretical, methodological, and applied perspectives on electron density studies and density functional theory Electron density or the single particle