Chemical Reactivity: Volume 2: Approaches and Applications

Chemical Reactivity, Volume 2: Approaches and Applications provides the latest approaches and strategies for the computational assessment of chemical reactivity, covering conformer searching techniques, quantum similarity descriptors, volume-based thermodynamics, polarizability, aromaticity, interaction energies, and electron density. It is a useful resource for students and researchers interested in applying and refining their use of these methods.

Format: Paperback / softback
Length: 500 pages
Publication date: 08 May 2023
Publisher: Elsevier - Health Sciences Division

The development of technology for chemical assessment has brought about significant advancements in the study of chemical reactivity in recent years. However, crucial information is often scattered across various research fields, making it challenging to consolidate and understand. Chemical Reactivity, Volume 2: Approaches and Applications aims to address this issue by presenting the latest approaches and strategies for computational assessment of chemical reactivity.

The book begins with an insightful introduction that provides a comprehensive overview of the field. It then delves into various techniques and methods, including confined environments, quantum similarity descriptors, volume-based thermodynamics, and polarizability. A unified approach to the rules of aromaticity is followed by discussions on methods for assessing interaction energies and the role of electron density in diverse analyses. Algorithms for confirmer searching, partitioning, and a wide range of quantum chemical methods are also explored.

Chemical Reactivity, Volume 2: Approaches and Applications is a valuable 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 brings together the knowledge and expertise of a global team of experts in the field, making it an essential reference for anyone seeking to stay up-to-date with the latest developments in this area.

In conclusion, the growth of technology for chemical assessment has paved the way for remarkable progress in the investigation of chemical reactivity. Chemical Reactivity, Volume 2: Approaches and Applications serves as a comprehensive guide that offers the latest approaches and strategies for computational assessment of chemical reactivity. By consolidating the knowledge of a global team of experts, the book provides a valuable resource for students and researchers alike, enabling them to apply and refine their use of the latest methods in their own work.

Dimension: 229 x 152 (mm)
ISBN-13: 9780323902595