Chemical Reactivity in Quantum Mechanics and Information Theory

Author: F Nalewajski, Roman

Brand: Elsevier

Edition: 1

ISBN: 9780323956222

Release Date: 28-10-2022

Package Dimensions: 11.0 x 8.3 x 0.8 inches

Languages: English

Binding: paperback

Features:

• Principles of Equalization in Open Systems
• Dual Origins of Information Content and State Continuity
• Chemical Bonding through Electronic Communications
• Virial Theorem Implications for Displacements in Resultant Gradient Information
• Charge-Transfer Reactivity: Simple Models
• Entropy and Information Sources
• Equidensity Orbital Description
• Electronic Diffusion and Subsystem Entanglement
• Nonadditive Entropic Criteria
• Miscellaneous Aspects of Reactive Systems

Number Of Pages: 352

Details: Chemical 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. Generates a new basis for understanding the rules governing molecular processes, information origins of chemical bonding, and its covalent/ionic composition Provides an objective approach to classical issues in modern reactivity theory Offers a unifying information-theoretic perspective on electronic states