# Information Theory of Molecular Systems download epub

#### by **Roman F. Nalewajski**

**Epub Book:**1853 kb. |

**Fb2 Book:**1228 kb.

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by Roman F. Nalewajski (Author). ISBN-13: 978-0444519665.

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. The book starts by introducing the basic concepts of modern electronic 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.

Authors: Roman Nalewajski. Affiliations and Expertise. Hardcover ISBN: 9780444519665. eBook ISBN: 9780080459745. Faculty of Chemistry, Jagiellonian University, Krakow, Poland.

Автор: Roman F. Nalewajski Название: Information Theory of Molecular Systems, Издательство: Elsevier .

This book introduces basic concepts of modern electronic theory based upon the Density Functional Theory (DFT), followed by an outline of the main ideas and techniques of IT. Дополнительное описание

Department of Theoretical Chemistry, Jagiellonian University, Cracow, Poland. A general theme of this book is the electron density as a source and carrier of information about the molecular structure and reactivity.

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Information theory of molecular systems Elektronische Ressource

Information theory of molecular systems Elektronische Ressource. Information theory of molecular systems Elektronische Ressource. 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.

Information theory of molecular systems. Using information theory, it is argued that from among possible definitions of what an atom is when it is in a molecule, a particular one merits special attention. Namely, it is the atom defined b. More). PREFACE ACRONYMS Chapter 1. Introduction Chapter 2. Alternative Prespectives and Representations Chapter 3. Entropy, Information and Communication Channels Chapter 4. Probing the Molecular Electro. Legendre transforms and Maxwell relations in density functional theory. Roman F. Nalewajski, Robert G. Parr.

**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. ·Provides powerful tools for tackling both classical and new problems in the theory of the molecular electronic structure and chemical reactivity·Introduces basic concepts of the modern electronic structure/reactivity theory based upon the Density Functional Theory (DFT)·Outlines main ideas and techniques of Information Theory

**Author:**Roman F. Nalewajski

**ISBN:**0444519661

**Category:**Science & Math

**Subcategory:**Mathematics

**Language:**English

**Publisher:**Elsevier Science; 1 edition (April 14, 2006)

**Pages:**462 pages