Unlocking the Secrets of Chemical Reactivity: Theories and Principles

The rapid growth of technology in chemical assessment has led to significant breakthroughs in understanding chemical reactivity in recent years. However, crucial information is often scattered across various research fields, making it challenging to access comprehensive knowledge. That’s why Chemical Reactivity, Volume 1: Theories and Principles brings together cutting-edge theories and original principles to provide the most up-to-date developments in theoretical chemistry and its applications for assessing chemical processes.

Exploring the Fundamentals of Chemical Reactivity

This book delves into the exploration of different theories and principles related to electronic structure and reactivity of confined electronic systems. You’ll discover in-depth information on key topics such as:

• Dyson orbitals and their applications
• Target-ion overlaps and their significance
• Reaction fragility and its implications
• Magnetizability principles and the Fuki function

Density Functional Theory: A Comprehensive Overview

Density Functional Theory (DFT) is discussed in relation to various principles and approaches, including:

• Constrained methods and diabatic models
• Bonding evolution theory and its applications
• Orbital-based population analysis models and charge transfer models
• Quantum chemistry and QTAIM (Quantum Theory of Atoms in Molecules)

A Collaborative Effort: Consolidating Global Expertise

This book is the result of a collaborative effort by a global team of experts in the field, providing a valuable resource for both students and researchers seeking to gain a deeper understanding of the principles and theories underpinning chemical reactivity analysis.

By reading Chemical Reactivity, Volume 1: Theories and Principles, you’ll gain:

• A comprehensive overview of contemporary chemical reactivity studies
• A clear understanding of the theory behind state-of-the-art methods in the field
• Insights into advances in computational descriptions of reactivity, including reactivity in confined environments, conceptual density functional theory, and multi-reference quantum chemistry

Purchase your copy of Chemical Reactivity, Volume 1: Theories and Principles today and unlock the secrets of chemical reactivity.

Product Details:

• Publisher: Elsevier Science
• Publication Date: May 15, 2023
• Language: English
• ISBN: 9780323902571 (Hardcover) | 9780323906128 (Ebook)