Chemical Reactivity: Volume 1: Theories and Principles

The growth of technology for chemical assessment has led to great developments in the investigation of chemical reactivity in recent years, but key information is often dispersed across many different research fields. Combining both original principles and the cutting-edge theories used in chemical reactivity analysis, Chemical Reactivity, Volume 1 present the latest developments in theoretical chemistry and its application for the assessment of chemical processes.

Beginning with an exploration of different theories and principles relating to electronic structure and reactivity of confined electronic systems, the book goes on to highlight key information on such topics as Dyson orbitals, target-ion overlaps, reaction fragility, magnetizability principles and the Fuki function. Density Functional Theory is discussed in relation to numerous different principles and approaches, with further information on constrained methods and diabatic models, bonding evolution theory, orbital-based population analysis models and charge transfer models, and Quantum chemistry and QTAIM.

Consolidating the knowledge of a global team of experts in the field, Chemical Reactivity, Volume 1: Theories and Principles is a useful resource for both students and researchers interested in gaining greater understanding of the principles and theories underpinning chemical reactivity analysis.

Author: Savas Kaya
Publisher: Elsevier
Published: 05/08/2023
Binding Type: Paperback
ISBN: 9780323902571

About the Author
Szentpaly, Laszlo Von: - László von Szentpâly currently works at the Faculty of Chemistry, Universität Stuttgart. A member of American Chemical Society with a good reputation in the field of theoretical chemistry, László's achievements include research on the valence states interaction model of chemical bonding (VSI model) and molecular modelling of ultimate intercalated carcinogens. He has more than 35 research articles, reviews and book chapters on concepts and applications in Density Functional Theory to his name.Guo, Lei: - Lei Guo received his PhD degree in materials chemistry from the Chongqing university of china. His research is dedicated to synthesis and characterization of organic molecules and their application towards corrosion inhibition property for the protection of metals and alloys from acid corrosion. His interests also encompass theoretical and experimental research in condensed matter physicsKaya, Savas: - Savas Kaya is Associate Professor of Inorganic Chemistry at Sivas Cumhuriyet University, Health Services Vocational School, Department of Pharmacy, 58140, Sivas/Turkey. Since obtaining his Doctorate degree in the field of Theoretical Inorganic Chemistry, his research has focussed on Theoretical Chemistry, Computational Chemistry, Materials Science, Corrosion Science, Physical Inorganic Chemistry and Coordination Chemistry. Dr Kaya has published more than 100 papers in reputed international journals, 10 book chapters, and is the editor of the books "Conceptual Density Functional Theory and Its Applications in the Chemical Domain" and "Corrosion Science: Theoretical and Practical Applications."
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