Chemical Reactivity in Quantum Mechanics and Information Theory
eBook - ePub

Chemical Reactivity in Quantum Mechanics and Information Theory

  1. 352 pages
  2. English
  3. ePUB (mobile friendly)
  4. Available on iOS & Android
eBook - ePub

Chemical Reactivity in Quantum Mechanics and Information Theory

About this book

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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Yes, you can access Chemical Reactivity in Quantum Mechanics and Information Theory by Roman F Nalewajski,Roman F. F Nalewajski in PDF and/or ePUB format, as well as other popular books in Medicine & Pharmaceutical, Biotechnology & Healthcare Industry. We have over one million books available in our catalogue for you to explore.

Table of contents

  1. Title of Book
  2. Cover image
  3. Title page
  4. Table of Contents
  5. Copyright
  6. Preface
  7. Acronyms
  8. Chapter 1 Equalization Principles in Open Subsystems
  9. Chapter 2 Dual Origins of Information Content and State Continuities
  10. Chapter 3 Electronic Communications and Chemical Bonds
  11. Chapter 4 Virial Theorem Implications for Displacements in Resultant Gradient Information
  12. Chapter 5 Simple Models of Charge-Transfer Reactivity
  13. Chapter 6 Entropy and Information Sources
  14. Chapter 7 Equidensity Orbital Description
  15. Chapter 8 Electronic Diffusion and Subsystem Entanglement
  16. Chapter 9 Nonadditive Entropic Criteria
  17. Chapter 10 Miscellanea on Reactive Systems
  18. Appendix A. Elements of Information/Communication Theory
  19. Appendix B. HSAB Principle and WKB Phase Modeling
  20. Appendix C. Finite-Difference Electronegativity and Hardness Measures
  21. Appendix D. Equidensity Orbitals for Overlap Distributions
  22. Appendix E. Correlated Communication Channels
  23. Appendix F. Unbiased and Biased Descriptions of Charge Transfer
  24. Appendix G. Internal Ensembles in Acid—Base Systems
  25. References
  26. Index