Chemical Reactivity: Exploring Latest Approaches and Applications

By Sava Kaya, a renowned expert in the field, Chemical Reactivity, Volume 2: Approaches and Applications presents a comprehensive overview of the latest methods and strategies for assessing chemical reactivity. This insightful book brings together the knowledge of a global team of experts to provide a unified approach to understanding chemical reactivity.

Understanding Chemical Reactivity: Traditional and Advanced Methods

The growth of technology for chemical assessment has led to significant developments in the investigation of chemical reactivity in recent years. However, key information is often dispersed across various research fields. This book bridges this gap by exploring both traditional and advanced methods for the computational assessment of chemical reactivity.

Conformer Searching Techniques and Beyond

The book begins with an overview of conformer searching techniques, a crucial aspect of chemical reactivity assessment. It then delves into various techniques and methods, including confined environments, quantum similarity descriptors, volume-based thermodynamics, and polarizability.

A Unified Approach to Aromaticity and Interaction Energies

A unified approach to the rules of aromaticity is presented, followed by methods for assessing interaction energies. The role of electron density in varied analyses is also explored, providing a comprehensive understanding of chemical reactivity.

Algorithms and Quantum Chemical Methods for Reactivity Assessment

Algorithms for conformer searching, partitioning, and a range of quantum chemical methods are discussed, providing researchers and students with a valuable resource for refining their use of the latest approaches.

A Valuable Resource for Researchers and Students

Chemical Reactivity, Volume 2: Approaches and Applications is an essential resource for both students and researchers interested in applying and refining their use of the latest approaches for assessing chemical reactivity in their own work. The book compiles a broad range of contemporary methods and approaches for reactivity and structure prediction.

The book highlights the application of chemical reactivity strategies for the investigation of areas such as:

• Aromaticity
• Halogen bonds
• Electronic materials

It also includes discussion of computational tools for exploring molecular spaces from different angles, including interaction energies, quantum similarity, and electron density.

Published by Elsevier Science, this book is an essential addition to any library or research institution.

Language: English

ISBN: 9780323902595, 9780323906289

Publication Date: May 15, 2023