Teoretical Chemistry

The fragment molecular orbital (FMO) method is a fast linear-scaling quantum-mechanical method employed by chemists and physicists all over the world. It provides a wealth of properties of fragments …

This book presents a detailed account of one of the most mysterious problems in science — whether ordinary magnetic fields can exert an appreciable influence on chemical and biochemical reactions. …

This volume presents the recent progress and perspective in multi-photon processes and spectroscopy of atoms, ions, molecules and solids. The subjects in the series cover the experimental and …

Cyclodextrins are an extremely versatile class of chemicals highly prized for their ability to incorporate a plethora of organic, inorganic and biologic guest molecules into their hydrophobic …

Energy storage material is a hot topic in material science and chemistry. During the past decade, nuclear magnetic resonance (NMR) has emerged as a powerful tool to aid understanding of the working …

Progress in the application of machine learning (ML) to the physical and life sciences has been rapid. A decade ago, the method was mainly of interest to those in computer science departments, but mo …

THE COSMIC DARK Matter Fractal Field is a new paradigm in cosmology, a theory that has provided new ways to understand our reality as a highly dynamic feedback system that exhibits reverse entropy. I …

The principal message of this book is that thermodynamics and statistical mechanics will benefit from replacing the unfortunate, misleading and mysterious term “entropy” with a more familiar, …

This is the first textbook in the field of electrochemistry that will teach experimental electrochemists how to carry out simulation of electrode processes. Processes at both macro- and …

New technologies are made possible by new materials, and until recently new materials could only be discovered experimentally. Recent advances in solving the crystal structure prediction problem mean …