Chemical Reactivity in Quantum Mechanics and Information Theory - Image 1

£131.38

Elsevier Chemical Reactivity in Quantum Mechanics and Information Theory

Name: Chemical Reactivity in Quantum Mechanics and Information Theory
Brand: Elsevier
Price: 131.38 GBP
Availability: InStock

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Product Description Chemical Reactivity in Quantum Mechanics and Information Theory introduces a thermodynamic-like description of molecular systems and provides an objective treatment of their fragments. It formulates adequate entropic tools for probing, in chemical terms, the electronic structure of molecules and rationalizing reactivity principles. This book covers the information origins of chemical bond, its 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. Chemical Reactivity in Quantum Mechanics and Information Theory introduces a precise descriptor of molecular fragments, and clarifies mostly intuitive semantics of several chemical concepts. The book provides a precise and unbiased description of chemical reactivity phenomena in Donor-Acceptor systems in terms of quantum states and generalized concepts of the Information/Communication theories. This book aims to increase the understanding of qualitative chemical concepts and generate a consistent framework for probing electronic structure and reactivity of molecular systems and their fragments for graduate or advanced undergraduate students in chemistry, physics and molecular biology. Review Offers a precise and unbiased description of chemical reactivity phenomena in Donor-Acceptor systems in terms of quantum states and generalized concepts of the Information/Communication theories. About the Author Roman 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).

Product Specifications

Brand: Elsevier
Format: Paperback
ASIN: 032395622X
Category: Books > Subjects > Business, Finance & Law > Management > Distribution > Retail
Domain: Amazon UK
Release Date: 28 October 2022
Listed Since: 01 March 2022

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Elsevier Chemical Reactivity in Quantum Mechanics and Information Theory

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