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Chemical Reactivity in Quantum Mechanics and Information Theory

Autor Roman F Nalewajski
en Limba Engleză Paperback – 27 oct 2022
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
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Specificații

ISBN-13: 9780323956222
ISBN-10: 032395622X
Pagini: 352
Dimensiuni: 210 x 279 mm
Greutate: 0.79 kg
Editura: ELSEVIER SCIENCE

Cuprins

1. Equalization Principles in Open Subsystems2. Dual Origins of Information Content and State Continuity3. Electronic Communications and Chemical Bonds4. Virial Theorem Implications for Displacements in Resultant Gradient Information 5. Simple Models of Charge-Transfer Reactivity6. Entropy and Information Sources7. Equidensity Orbital Description8. Electronic Diffusion and Subsystem Entanglement9. Nonadditive Entropic Criteria10. Miscellanea on Reactive Systems