Chemical Reactivity in Quantum Mechanics and Information Theory

Chemical Reactivity in Quantum Mechanics and Information Theory provides a thermodynamic-like description of molecular systems and offers entropic tools for probing their electronic structure and reactivity principles. It covers information origins, molecular stability, reactivity trends, equilibrium polarizations, and charge-transfer reconstructions, as well as phase/current promotions of molecular substrates.

Format: Paperback / softback
Length: 300 pages
Publication date: 01 July 2022
Publisher: Elsevier - Health Sciences Division

Chemical Reactivity in Quantum Mechanics and Information Theory presents a thermodynamic-like portrayal of molecular systems, offering an objective treatment of their constituent parts. The book develops sufficient entropic tools to probe chemical phenomena and elucidate the electronic structure of molecules, rationalizing reactivity principles. It encompasses various aspects, including the origins of chemical bonds, the composition of covalent and ionic compounds, trends in molecular stability and reactivity, equilibrium polarizations, and charge-transfer reconstructions of reactive complexes. Furthermore, the book delves into the phase/current promotions of molecular substrates. Additionally, the book introduces a precise descriptor of molecular fragments, clarifying the often intuitive semantics of chemical concepts. Readers will discover a precise and unbiased description of chemical reactivity phenomena in Donor-Acceptor systems, elucidated through the framework of quantum states and generalized concepts of Information/Communication theories.

Weight: 450g
ISBN-13: 9780323956222