Chemical Reactivity: Volume 1: Theories and Principles

Chemical Reactivity, Volume 1 presents the latest developments in theoretical chemistry and its application for the assessment of chemical processes. It explores different theories and principles relating to electronic structure and reactivity, including Dyson orbitals, target-ion overlaps, reaction fragility, magnetizability principles, and the Fuki function. Density Functional Theory is discussed in relation to various principles and approaches, and Quantum chemistry and QTAIM are also covered. The book is a useful resource for students and researchers interested in gaining greater understanding of the principles and theories underpinning chemical reactivity analysis.

Format: Paperback / softback
Length: 606 pages
Publication date: 26 May 2023
Publisher: Elsevier - Health Sciences Division

The development of technology for chemical assessment has brought about remarkable advancements in the study of chemical reactivity in recent years. However, crucial information is often scattered across various research fields, hindering a comprehensive understanding of the subject. Chemical Reactivity, Volume 1 aims to bridge this gap by presenting the latest developments in theoretical chemistry and their application in assessing chemical processes.

The book begins by exploring diverse theories and principles related to electronic structure and reactivity in confined electronic systems. It delves into topics such as Dyson orbitals, target-ion overlaps, reaction fragility, magnetizability principles, and the Fuki function, providing valuable insights into these critical aspects of chemical reactivity.

Density Functional Theory (DFT) is discussed in relation to various principles and approaches, including constrained methods, diabatic models, bonding evolution theory, orbital-based population analysis models, and charge transfer models. Further information is provided on Quantum chemistry and QTAIM, contributing to a comprehensive understanding of the field.

By consolidating the knowledge of a global team of experts, Chemical Reactivity, Volume 1 serves as a valuable resource for both students and researchers seeking to deepen their understanding of the principles and theories underpinning chemical reactivity analysis. The book offers a comprehensive overview of the field, covering essential topics and providing a solid foundation for future research and advancements.

Dimension: 229 x 152 (mm)
ISBN-13: 9780323902571