Chemical Reactivity in Quantum Mechanics and Information Theory: A Comprehensive Guide

Written by Roman F Nalewajski, this book provides an in-depth look into the thermodynamic-like description of molecular systems, offering an objective treatment of their fragments. By formulating entropic tools, the book enables readers to probe the electronic structure of molecules and rationalize reactivity principles in chemical terms.

Understanding Chemical Bonds and Molecular Stability

The book explores the information origins of chemical bonds, including their covalent/ionic composition, and trends in molecular stability and reactivity. It delves into equilibrium polarizations and charge-transfer reconstructions of reactive complexes, as well as the phase/current promotions of molecular substrates.

A New Perspective on Molecular Reactivity

Readers will discover a precise and unbiased description of chemical reactivity phenomena in Donor-Acceptor systems, explained in terms of quantum states and generalized concepts of Information/Communication theories. This new approach generates a solid basis for understanding the rules governing molecular processes and the information origins of chemical bonding.

Key Features and Benefits

• Provides an objective approach to classical issues in modern reactivity theory
• Offers a unifying information-theoretic perspective on electronic states
• Covers the information origins of chemical bonds and their covalent/ionic composition
• Explores trends in molecular stability and reactivity
• Includes a precise descriptor of molecular fragments and clarifies chemical concepts

Published by Elsevier Science on November 17, 2022, this book is a valuable resource for researchers and students seeking a deeper understanding of chemical reactivity in quantum mechanics and information theory.

Language: English

ISBN: 9780323956222 (hardcover) / 9780323956239 (ebook)