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To order this title, and for more information, click here
By
Roman Nalewajski, Faculty of Chemistry, Jagiellonian University, Krakow, Poland
Description
As well as providing a unified outlook on physics, Information Theory (IT) has numerous applications in chemistry and biology owing to
its ability to provide a measure of the entropy/information contained within probability distributions and criteria of their information
"distance" (similarity) and independence. Information Theory of Molecular Systems applies standard IT to classical problems
in the theory of electronic structure and chemical reactivity.
The book starts by introducing the basic concepts of modern electronic
structure/reactivity theory based upon the Density Functional Theory (DFT), followed by an outline of the main ideas and techniques of
IT, including several illustrative applications to molecular systems. Coverage includes information origins of the chemical bond, unbiased
definition of molecular fragments, adequate entropic measures of their internal (intra-fragment) and external (inter-fragment) bond-orders
and valence-numbers, descriptors of their chemical reactivity, and information criteria of their similarity and independence.
Information
Theory of Molecular Systems is recommended to graduate students and researchers interested in fresh ideas in the theory of electronic structure and chemical reactivity.
Audience
Graduate students and researchers in chemical physics interested in new concepts regarding the theory of electronic structure and chemical reactivity.
Contents
Chapter 1. Introduction
Chapter 2. Alternative Prespectives and Representations
Chapter 3. Entropy, Information and Communication
Channels
Chapter 4. Probing the Molecular Electron Distributions
Chapter 5. Atoms-in-Moleculaes from the Information Theory
Chapter 6. Other Properties of Stockholder Subsystems
Chapter 7. Communication Theory of the Chemical Bond
Chapter 8.
Entropy/Information Indices of Molecular Fragments
Chapter 9. Reactive Systems
Chapter 10. Elements of the Information Distance
Thermodynamics
| Bibliographic details |
Hardbound, 462 pages, publication date: FEB-2006
ISBN-13: 978-0-444-51966-5
ISBN-10: 0-444-51966-1
Imprint: ELSEVIER
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| Price and Ordering |
Price:
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USD 146
EUR 112.95
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Last update: 10 Sep 2009
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