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OverviewChemical Reactivity in Quantum Mechanics and Information Theory introduces a thermodynamic-like description of molecular systems and provides an objective treatment of their fragments. The book formulates adequate entropic tools for probing in chemical terms and the electronic structure of molecules and rationalizing reactivity principles. It covers the information origins of chemical bonds, covalent/ionic composition, trends in molecular stability and reactivity, equilibrium polarizations and charge-transfer reconstructions of reactive complexes, as well as the phase/current promotions of molecular substrates. In addition, the book introduces a precise descriptor of molecular fragments and clarifies mostly intuitive semantics of several chemical concepts. Readers will find a precise and unbiased description of chemical reactivity phenomena in Donor-Acceptor systems in terms of quantum states and generalized concepts of Information/Communication theories. Full Product DetailsAuthor: Roman F Nalewajski (Professor Emeritus Jagiellonian University, Krakow, Poland)Publisher: Elsevier - Health Sciences Division Imprint: Elsevier - Health Sciences Division Weight: 0.450kg ISBN: 9780323956222ISBN 10: 032395622 Pages: 352 Publication Date: 28 October 2022 Audience: Professional and scholarly , Professional & Vocational Format: Paperback Publisher's Status: Active Availability: Manufactured on demand  We will order this item for you from a manufactured on demand supplier. Table of Contents1. Equalization Principles in Open Subsystems 2. Dual Origins of Information Content and State Continuity 3. Electronic Communications and Chemical Bonds 4. Virial Theorem Implications for Displacements in Resultant Gradient Information 5. Simple Models of Charge-Transfer Reactivity 6. Entropy and Information Sources 7. Equidensity Orbital Description 8. Electronic Diffusion and Subsystem Entanglement 9. Nonadditive Entropic Criteria 10. Miscellanea on Reactive SystemsReviewsAuthor InformationRoman F. Nalewajski is now Professor (Emeritus) of theoretical chemistry at Jagiellonian University in Cracow (Poland). His current research concerns mainly conceptual and methodological issues in quantum chemistry, and particularly density-functional theory (DFT) and information theory (IT) with applications to problems of the chemical bond, molecular electronic structure, and reactivity preferences. His recent interests focus on communication theory of the chemical bond, applying IT in chemical interpretations of molecular states and reactivities, and exploring the phase-equilibria in molecules or their fragments. He is the Author of about 250 scientific publications, two academic textbooks on quantum chemistry (in Polish) and five monographs (in English). Tab Content 6Author Website:Countries AvailableAll regions |
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